4-methyl-3-(methylamino)pyridine-2-carboxylic acid

C8H10N2O2 — CID 169147697

IUPAC4-methyl-3-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1c(C)ccnc1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-5-3-4-10-7(8(11)12)6(5)9-2/h3-4,9H,1-2H3,(H,11,12)
InChIKeyRMQAVKCBUCHSGC-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.13
Rot. Bonds2

About 4-methyl-3-(methylamino)pyridine-2-carboxylic acid

4-methyl-3-(methylamino)pyridine-2-carboxylic acid (PubChem CID 169147697) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(methylamino)pyridine-2-carboxylic acid
PubChem CID169147697
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-methyl-3-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1c(C)ccnc1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-5-3-4-10-7(8(11)12)6(5)9-2/h3-4,9H,1-2H3,(H,11,12)
InChIKeyRMQAVKCBUCHSGC-UHFFFAOYSA-N
XLogP1.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
4-methyl-3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 90412496
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid
CID 118326443
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
2,4-dimethyl-3-(methylamino)benzoic acid
CID 144869616
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
ethane;4-methylpyridazine-3-carboxylic acid
CID 166146805
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
7-chloro-5-methylisoquinoline-1-carboxylic acid
CID 125426657

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(methylamino)pyridine-2-carboxylic acid (CID 169147697) is 4-methyl-3-(methylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(methylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(methylamino)pyridine-2-carboxylic acid is CNc1c(C)ccnc1C(=O)O.
What is the InChIKey of 4-methyl-3-(methylamino)pyridine-2-carboxylic acid?
The InChIKey is RMQAVKCBUCHSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-4-10-7(8(11)12)6(5)9-2/h3-4,9H,1-2H3,(H,11,12).
What are the key properties of 4-methyl-3-(methylamino)pyridine-2-carboxylic acid?
4-methyl-3-(methylamino)pyridine-2-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 169147697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).