6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid

C12H10N2O2 — CID 131619918

IUPAC6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)cn2)ccn1
InChIInChI=1S/C12H10N2O2/c1-8-6-9(4-5-13-8)11-3-2-10(7-14-11)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeySOYHUVUFJCKIOB-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid

6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid (PubChem CID 131619918) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
PubChem CID131619918
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)cn2)ccn1
InChIInChI=1S/C12H10N2O2/c1-8-6-9(4-5-13-8)11-3-2-10(7-14-11)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeySOYHUVUFJCKIOB-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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Related Compounds

CID 938
CID 938
CID 3442
CID 3442
CID 7493
CID 7493
CID 3922
CID 3922
CID 80971
CID 80971
CID 113606
CID 113606
CID 2760505
CID 2760505
CID 2795575
CID 2795575
CID 2779236
CID 2779236
CID 822960
CID 822960
CID 2736289
CID 2736289
CID 192744
CID 192744

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid (CID 131619918) is 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid is Cc1cc(-c2ccc(C(=O)O)cn2)ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid?
The InChIKey is SOYHUVUFJCKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-6-9(4-5-13-8)11-3-2-10(7-14-11)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid?
6-(2-methyl-4-pyridinyl)pyridine-3-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 6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 131619918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).