4-methylpyridine-2-carboxylic acid

C7H7NO2 — CID 2762820

IUPAC4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1
InChIInChI=1S/C7H7NO2/c1-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyCMMURVLHXMNTHY-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.09
Rot. Bonds1

About 4-methylpyridine-2-carboxylic acid

4-methylpyridine-2-carboxylic acid (PubChem CID 2762820) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methylpyridine-2-carboxylic acid
PubChem CID2762820
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name4-methylpyridine-2-carboxylic acid
SMILESCc1ccnc(C(=O)O)c1
InChIInChI=1S/C7H7NO2/c1-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyCMMURVLHXMNTHY-UHFFFAOYSA-N
XLogP1.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-methylpyridine-2-carboxylic acid (CID 2762820) is 4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-methylpyridine-2-carboxylic acid is Cc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-methylpyridine-2-carboxylic acid?
The InChIKey is CMMURVLHXMNTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10).
What are the key properties of 4-methylpyridine-2-carboxylic acid?
4-methylpyridine-2-carboxylic acid has a molecular weight of 137.14 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 2762820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).