5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid

C13H12ClN3O2 — CID 62990731

IUPAC5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2ncc(C(=O)O)cc2Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c1-8-2-3-9(5-15-8)6-16-12-11(14)4-10(7-17-12)13(18)19/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyNMIVQPIEJAEASI-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid

5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 62990731) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
PubChem CID62990731
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2ncc(C(=O)O)cc2Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c1-8-2-3-9(5-15-8)6-16-12-11(14)4-10(7-17-12)13(18)19/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyNMIVQPIEJAEASI-UHFFFAOYSA-N
XLogP2.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114136292
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 61236750
5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 106034383
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271056
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid (CID 62990731) is 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid is Cc1ccc(CNc2ncc(C(=O)O)cc2Cl)cn1.
What is the InChIKey of 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is NMIVQPIEJAEASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-2-3-9(5-15-8)6-16-12-11(14)4-10(7-17-12)13(18)19/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62990731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).