5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid

C12H10N2O2 — CID 66277953

IUPAC5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
SMILESCc1cnccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H10N2O2/c1-8-6-13-5-4-10(8)9-2-3-11(12(15)16)14-7-9/h2-7H,1H3,(H,15,16)
InChIKeyIOAQUAXOXBIUIV-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid

5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid (PubChem CID 66277953) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
PubChem CID66277953
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
SMILESCc1cnccc1-c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H10N2O2/c1-8-6-13-5-4-10(8)9-2-3-11(12(15)16)14-7-9/h2-7H,1H3,(H,15,16)
InChIKeyIOAQUAXOXBIUIV-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 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid (CID 66277953) is 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid is Cc1cnccc1-c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
The InChIKey is IOAQUAXOXBIUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-6-13-5-4-10(8)9-2-3-11(12(15)16)14-7-9/h2-7H,1H3,(H,15,16).
What are the key properties of 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
5-(3-methyl-4-pyridinyl)pyridine-2-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 5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 66277953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).