6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid

C43H48ClN7O16 — CID 157361510

IUPAC6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid
SMILESC1COCCN1.COC(=O)c1ccc(C(=O)Cl)cn1.COC(=O)c1ccc(C(=O)N2CCOCC2)cn1.COC(=O)c1ccc(C(=O)O)cn1.O=C(O)c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C12H14N2O4.C11H12N2O4.C8H6ClNO3.C8H7NO4.C4H9NO/c1-17-12(16)10-3-2-9(8-13-10)11(15)14-4-6-18-7-5-14;14-10(13-3-5-17-6-4-13)8-1-2-9(11(15)16)12-7-8;1-13-8(12)6-3-2-5(4-10-6)7(9)11;1-13-8(12)6-3-2-5(4-9-6)7(10)11;1-3-6-4-2-5-1/h2-3,8H,4-7H2,1H3;1-2,7H,3-6H2,(H,15,16);2-4H,1H3;2-4H,1H3,(H,10,11);5H,1-4H2
InChIKeyBIRSCWRJFLIEFE-UHFFFAOYSA-N
MW954.34 g/mol
LogP2.01
Rot. Bonds8

About 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid

6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid (PubChem CID 157361510) has the molecular formula C43H48ClN7O16 and a molecular weight of 954.34 g/mol. Its IUPAC name is 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid
PubChem CID157361510
Molecular FormulaC43H48ClN7O16
Molecular Weight954.34 g/mol
Exact Mass953.28
IUPAC Name6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid
SMILESC1COCCN1.COC(=O)c1ccc(C(=O)Cl)cn1.COC(=O)c1ccc(C(=O)N2CCOCC2)cn1.COC(=O)c1ccc(C(=O)O)cn1.O=C(O)c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C12H14N2O4.C11H12N2O4.C8H6ClNO3.C8H7NO4.C4H9NO/c1-17-12(16)10-3-2-9(8-13-10)11(15)14-4-6-18-7-5-14;14-10(13-3-5-17-6-4-13)8-1-2-9(11(15)16)12-7-8;1-13-8(12)6-3-2-5(4-10-6)7(9)11;1-13-8(12)6-3-2-5(4-9-6)7(10)11;1-3-6-4-2-5-1/h2-3,8H,4-7H2,1H3;1-2,7H,3-6H2,(H,15,16);2-4H,1H3;2-4H,1H3,(H,10,11);5H,1-4H2
InChIKeyBIRSCWRJFLIEFE-UHFFFAOYSA-N
XLogP2.01
TPSA302.47 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Methyl 6-[2-[bis[2-[(5-methoxycarbonylpyridine-2-carbonyl)amino]ethyl]amino]ethylcarbamoyl]pyridine-3-carboxylate
CID 102358979
tert-butyl pyridine-4-carboxylate;N,N-dimethylpyridine-4-carboxamide;tris(ethyl pyridine-4-carboxylate);1,1,1,3,3,3-hexafluoropropan-2-yl pyridine-4-carboxylate;methyl pyridine-2-carboxylate;methyl pyridine-3-carboxylate;methyl pyridine-4-carboxylate;propan-2-yl pyridine-4-carboxylate
CID 161654984
5-Methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(oxan-4-ylcarbamoyl)pyridine-3-carboxylate
CID 68741397
6-[[[2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid;2-[[2-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl-(carboxymethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate;tert-butyl 2-[[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl]amino]acetate;methane
CID 157080560
2-Acetylpyridine-3-carboxylic acid;3-(aminomethyl)pyridine-2-carboxylic acid;1-[3-(aminomethyl)-2-pyridinyl]ethanone;1-[3-(azidomethyl)-2-pyridinyl]ethanone;furo[3,4-b]pyridine-5,7-dione;1-[3-(hydroxymethyl)-2-pyridinyl]ethanone;3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 157092967
6-[[Bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;tert-butyl 4-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 157373503
5-Methylpyridine-2-carboxylic acid;bis(5-methylpyridine-3-carboxylic acid);piperidin-4-yl 5-methylpyridine-3-carboxylate
CID 157412362
methyl 2-dimethylphosphorylacetate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;methyl 6-methylpyridine-3-carboxylate;methyl (E)-3-(6-methylpyridin-1-ium-3-yl)prop-2-enoate;methyl (E)-3-(6-methyl-3-pyridinyl)prop-2-enoate;6-methylpyridine-3-carbaldehyde;(6-methyl-3-pyridinyl)methanol;hydroxide
CID 157425188
N-(2-aminoethyl)-4-methylpyridine-2-carboxamide;N-(6-aminohexyl)-4-methylpyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-4-methylpyridine-2-carboxamide;N,4-dimethylpyridine-2-carboxamide;N-(2-methoxyethyl)-4-methylpyridine-2-carboxamide;4-methyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide;2-[(4-methylpyridine-2-carbonyl)amino]acetic acid;4-methylpyridine-2-carboxamide;4-methylpyridine-2-carboxylic acid
CID 157625500
5-Carbamoyl-3-chloropyridine-2-carboxylic acid;tetrakis(carbon dioxide);3-chloro-5-ethylpyridine-2-carboxylic acid;3-chloro-5-isocyanopyridine-2-carboxylic acid;ethyl 5-ethyl-1-oxidopyridin-1-ium-2-carboxylate;ethyl 5-ethylpyridine-2-carboxylate;5-ethyl-1-oxidopyridin-1-ium-2-carboxylic acid
CID 157812732
tert-butyl-dimethyl-[[(3S)-morpholin-3-yl]methoxy]silane;3-[3-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carbonyl]-2-pyridinyl]propanenitrile;2-(2-cyanoethyl)pyridine-3-carboxylic acid;methyl 2-chloropyridine-3-carboxylate;methyl 2-[(E)-2-cyanoethenyl]pyridine-3-carboxylate;methyl 2-(2-cyanoethyl)pyridine-3-carboxylate;prop-2-enenitrile
CID 157947035
Methyl 6-chloro-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxylate;methyl 6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxylate;6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)pyridine-3-carboxylic acid
CID 157973091

Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid (CID 157361510) is 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid is C1COCCN1.COC(=O)c1ccc(C(=O)Cl)cn1.COC(=O)c1ccc(C(=O)N2CCOCC2)cn1.COC(=O)c1ccc(C(=O)O)cn1.O=C(O)c1ccc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is BIRSCWRJFLIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4.C11H12N2O4.C8H6ClNO3.C8H7NO4.C4H9NO/c1-17-12(16)10-3-2-9(8-13-10)11(15)14-4-6-18-7-5-14;14-10(13-3-5-17-6-4-13)8-1-2-9(11(15)16)12-7-8;1-13-8(12)6-3-2-5(4-10-6)7(9)11;1-13-8(12)6-3-2-5(4-9-6)7(10)11;1-3-6-4-2-5-1/h2-3,8H,4-7H2,1H3;1-2,7H,3-6H2,(H,15,16);2-4H,1H3;2-4H,1H3,(H,10,11);5H,1-4H2.
What are the key properties of 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid?
6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 954.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonylpyridine-3-carboxylic acid;methyl 5-carbonochloridoylpyridine-2-carboxylate;methyl 5-(morpholine-4-carbonyl)pyridine-2-carboxylate;morpholine;5-(morpholine-4-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 157361510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).