2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid

C67H63Cl4N15O13 — CID 159289576

IUPAC2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESC#CC(=O)OCC.CCOC(=O)c1cnc2nc(C)ccc2c1.CCOC(=O)c1cnc2nc(Cl)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1nc(Cl)ccc1C(=O)O.Nc1nc(Cl)ccc1C=O.Nc1nc(Cl)ccc1CO
InChIInChI=1S/C12H12N2O2.C11H9ClN2O2.C11H11N3O.C10H8N2O2.C6H5ClN2O2.C6H7ClN2O.C6H5ClN2O.C5H6O2/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;1-2-16-11(15)8-5-7-3-4-9(12)14-10(7)13-6-8;1-7-3-4-8-5-9(11(15)12-2)6-13-10(8)14-7;1-6-2-3-7-4-8(10(13)14)5-11-9(7)12-6;7-4-2-1-3(6(10)11)5(8)9-4;2*7-5-2-1-4(3-10)6(8)9-5;1-3-5(6)7-4-2/h4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-2H,(H2,8,9)(H,10,11);1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);1H,4H2,2H3
InChIKeyKZYBEEWUYIHGFV-UHFFFAOYSA-N
MW1428.14 g/mol
LogP10.65
Rot. Bonds10

About 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid

2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 159289576) has the molecular formula C67H63Cl4N15O13 and a molecular weight of 1428.14 g/mol. Its IUPAC name is 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid
PubChem CID159289576
Molecular FormulaC67H63Cl4N15O13
Molecular Weight1428.14 g/mol
Exact Mass1425.35
IUPAC Name2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid
SMILESC#CC(=O)OCC.CCOC(=O)c1cnc2nc(C)ccc2c1.CCOC(=O)c1cnc2nc(Cl)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1nc(Cl)ccc1C(=O)O.Nc1nc(Cl)ccc1C=O.Nc1nc(Cl)ccc1CO
InChIInChI=1S/C12H12N2O2.C11H9ClN2O2.C11H11N3O.C10H8N2O2.C6H5ClN2O2.C6H7ClN2O.C6H5ClN2O.C5H6O2/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;1-2-16-11(15)8-5-7-3-4-9(12)14-10(7)13-6-8;1-7-3-4-8-5-9(11(15)12-2)6-13-10(8)14-7;1-6-2-3-7-4-8(10(13)14)5-11-9(7)12-6;7-4-2-1-3(6(10)11)5(8)9-4;2*7-5-2-1-4(3-10)6(8)9-5;1-3-5(6)7-4-2/h4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-2H,(H2,8,9)(H,10,11);1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);1H,4H2,2H3
InChIKeyKZYBEEWUYIHGFV-UHFFFAOYSA-N
XLogP10.65
TPSA439.75 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001428.14
LogP ≤ 510.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]pyridine-3-carboxylic acid;ethyl 2-[(3R,4S)-1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]pyridine-3-carbonyl]-3-methylpiperidin-4-yl]acetate;ethyl 2-[(3R,4S)-3-methylpiperidin-4-yl]acetate
CID 158561456
2-aminopyridine-3-carboxylic acid;ethyl 4-chloro-2-methyl-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-piperidin-1-yl-1,8-naphthyridine-3-carboxylate;ethyl 3-oxobutanoate;methane;2-methyl-4-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-oxo-1H-pyrido[2,3-d]oxathiazin-4-one;phosphoryl trichloride;piperidine;[3-(trifluoromethyl)phenyl]methanamine
CID 158745534
ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-(methylamino)-1,8-naphthyridine-3-carboxylate;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;[3-(trifluoromethyl)phenyl]methanamine
CID 159443954
2-aminopyridine-3-carboxylic acid;ethyl 4-chloro-2-methyl-1,4-dihydro-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;ethyl 2-methyl-4-piperidin-1-yl-1,8-naphthyridine-3-carboxylate;ethyl 3-oxobutanoate;methane;2-methyl-4-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-oxo-1H-pyrido[2,3-d]oxathiazin-4-one;phosphoryl trichloride;piperidine;[3-(trifluoromethyl)phenyl]methanamine
CID 160443940
2-chloro-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-(trifluoromethyl)pyrimidin-5-yl]methanol;ethane;ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate;4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 161157896
1-(2-amino-5-chloro-3-pyridinyl)-2,2,2-trifluoroethanone;3-chloro-5-(cyclopropylmethoxy)-5-(trifluoromethyl)-10H-pyrido[2,3-b][1,8]naphthyridine;1-(5-chloro-2-methyl-3-pyridinyl)-1-(2-chloro-3-pyridinyl)-2,2,2-trifluoroethanol;1-(5-chloro-2-methyl-3-pyridinyl)-2,2,2-trifluoroethanone;5-chloropyridin-2-amine;N-(5-chloro-2-pyridinyl)-2,2-dimethylpropanamide;N-[5-chloro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide;3-chloro-5-(trifluoromethyl)pyrido[2,3-b][1,8]naphthyridine;3-chloro-5-(trifluoromethyl)-10H-pyrido[2,3-b][1,8]naphthyridin-5-ol
CID 161553246
2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride
CID 157068497
6-Chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
CID 157183753
6-tert-butyl-2-chloro-3-isocyanopyridine;6-tert-butyl-3-isocyano-2-methoxypyridine;(6-tert-butyl-2-methoxy-3-pyridinyl)methanamine;N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 157242566
2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride
CID 157437435
N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(2-chloro-6-cyclopentyl-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 157539956
5-(Aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;bis(methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate);hydrochloride
CID 157679780

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid (CID 159289576) is 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid is C#CC(=O)OCC.CCOC(=O)c1cnc2nc(C)ccc2c1.CCOC(=O)c1cnc2nc(Cl)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1nc(Cl)ccc1C(=O)O.Nc1nc(Cl)ccc1C=O.Nc1nc(Cl)ccc1CO.
What is the InChIKey of 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is KZYBEEWUYIHGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C11H9ClN2O2.C11H11N3O.C10H8N2O2.C6H5ClN2O2.C6H7ClN2O.C6H5ClN2O.C5H6O2/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;1-2-16-11(15)8-5-7-3-4-9(12)14-10(7)13-6-8;1-7-3-4-8-5-9(11(15)12-2)6-13-10(8)14-7;1-6-2-3-7-4-8(10(13)14)5-11-9(7)12-6;7-4-2-1-3(6(10)11)5(8)9-4;2*7-5-2-1-4(3-10)6(8)9-5;1-3-5(6)7-4-2/h4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-2H,(H2,8,9)(H,10,11);1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);1H,4H2,2H3.
What are the key properties of 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid?
2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 1428.14 g/mol, XLogP of 10.65, 10 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 159289576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).