(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine

C53H57Br5N14O8 — CID 157145331

IUPAC(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine
SMILESCNCc1cc2ccccc2n1C.COC(=O)C1Cc2cc(Br)cnc2NC1=O.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.Nc1ncccc1C(=O)O.Nc1ncccc1CO.O=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C11H14N2.C10H9BrN2O3.C8H7BrN2O.C6H6Br2N2.C6H7BrN2O.C6H6N2O2.C6H8N2O/c1-12-8-10-7-9-5-3-4-6-11(9)13(10)2;1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14;9-6-3-5-1-2-7(12)11-8(5)10-4-6;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6/h3-7,12H,8H2,1-2H3;2,4,7H,3H2,1H3,(H,12,13,14);3-4H,1-2H2,(H,10,11,12);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);1-3H,(H2,7,8)(H,9,10);1-3,9H,4H2,(H2,7,8)
InChIKeyAKQDUSCLHWMBIW-UHFFFAOYSA-N
MW1417.65 g/mol
LogP8.51
Rot. Bonds7

About (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine

(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine (PubChem CID 157145331) has the molecular formula C53H57Br5N14O8 and a molecular weight of 1417.65 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine
PubChem CID157145331
Molecular FormulaC53H57Br5N14O8
Molecular Weight1417.65 g/mol
Exact Mass1412.04
IUPAC Name(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine
SMILESCNCc1cc2ccccc2n1C.COC(=O)C1Cc2cc(Br)cnc2NC1=O.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.Nc1ncccc1C(=O)O.Nc1ncccc1CO.O=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C11H14N2.C10H9BrN2O3.C8H7BrN2O.C6H6Br2N2.C6H7BrN2O.C6H6N2O2.C6H8N2O/c1-12-8-10-7-9-5-3-4-6-11(9)13(10)2;1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14;9-6-3-5-1-2-7(12)11-8(5)10-4-6;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6/h3-7,12H,8H2,1-2H3;2,4,7H,3H2,1H3,(H,12,13,14);3-4H,1-2H2,(H,10,11,12);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);1-3H,(H2,7,8)(H,9,10);1-3,9H,4H2,(H2,7,8)
InChIKeyAKQDUSCLHWMBIW-UHFFFAOYSA-N
XLogP8.51
TPSA360.64 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001417.65
LogP ≤ 58.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile
CID 157120738
(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 158132743
(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine;(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide;N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 158878688
5-bromo-2-isocyanopyridine;2-isocyano-5-piperidin-1-ylpyridine;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide;(5-piperidin-1-yl-2-pyridinyl)methanamine
CID 159682866

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine (CID 157145331) is (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine is CNCc1cc2ccccc2n1C.COC(=O)C1Cc2cc(Br)cnc2NC1=O.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.Nc1ncccc1C(=O)O.Nc1ncccc1CO.O=C1CCc2cc(Br)cnc2N1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine?
The InChIKey is AKQDUSCLHWMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H9BrN2O3.C8H7BrN2O.C6H6Br2N2.C6H7BrN2O.C6H6N2O2.C6H8N2O/c1-12-8-10-7-9-5-3-4-6-11(9)13(10)2;1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14;9-6-3-5-1-2-7(12)11-8(5)10-4-6;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6/h3-7,12H,8H2,1-2H3;2,4,7H,3H2,1H3,(H,12,13,14);3-4H,1-2H2,(H,10,11,12);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);1-3H,(H2,7,8)(H,9,10);1-3,9H,4H2,(H2,7,8).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine?
(2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine has a molecular weight of 1417.65 g/mol, XLogP of 8.51, 7 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)methanol;2-aminopyridine-3-carboxylic acid;(2-amino-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate;N-methyl-1-(1-methylindol-2-yl)methanamine is sourced from PubChem (CID 157145331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).