2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid

C12H10N2O2 — CID 11127621

IUPAC2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCc1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C12H10N2O2/c1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11/h2-7H,1H3,(H,15,16)
InChIKeyLEJWPWXRHHUDRH-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid

2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 11127621) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid
PubChem CID11127621
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCc1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C12H10N2O2/c1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11/h2-7H,1H3,(H,15,16)
InChIKeyLEJWPWXRHHUDRH-UHFFFAOYSA-N
XLogP2.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid (CID 11127621) is 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid is Cc1ccnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is LEJWPWXRHHUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid?
2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 11127621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).