3-(methylamino)pyridine-2-carboxylic acid

C7H8N2O2 — CID 19779285

IUPAC3-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1cccnc1C(=O)O
InChIInChI=1S/C7H8N2O2/c1-8-5-3-2-4-9-6(5)7(10)11/h2-4,8H,1H3,(H,10,11)
InChIKeyIETGSAMCULXTOG-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.82
Rot. Bonds2

About 3-(methylamino)pyridine-2-carboxylic acid

3-(methylamino)pyridine-2-carboxylic acid (PubChem CID 19779285) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-(methylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)pyridine-2-carboxylic acid
PubChem CID19779285
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name3-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1cccnc1C(=O)O
InChIInChI=1S/C7H8N2O2/c1-8-5-3-2-4-9-6(5)7(10)11/h2-4,8H,1H3,(H,10,11)
InChIKeyIETGSAMCULXTOG-UHFFFAOYSA-N
XLogP0.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-(ethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740614
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879
2-ethanimidoyl-N-methylpyridin-3-amine
CID 144574893
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
pyridine-2,3-dicarboxylic acid
CID 1066
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(methylamino)pyridine-2-carboxylic acid (CID 19779285) is 3-(methylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(methylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(methylamino)pyridine-2-carboxylic acid is CNc1cccnc1C(=O)O.
What is the InChIKey of 3-(methylamino)pyridine-2-carboxylic acid?
The InChIKey is IETGSAMCULXTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-8-5-3-2-4-9-6(5)7(10)11/h2-4,8H,1H3,(H,10,11).
What are the key properties of 3-(methylamino)pyridine-2-carboxylic acid?
3-(methylamino)pyridine-2-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 19779285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).