3-pyridin-4-ylpyridine-2-carboxylic acid

C11H8N2O2 — CID 46316065

IUPAC3-pyridin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccncc1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-9(2-1-5-13-10)8-3-6-12-7-4-8/h1-7H,(H,14,15)
InChIKeyPSNMAVKTQNITEV-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.84
Rot. Bonds2

About 3-pyridin-4-ylpyridine-2-carboxylic acid

3-pyridin-4-ylpyridine-2-carboxylic acid (PubChem CID 46316065) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-pyridin-4-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-4-ylpyridine-2-carboxylic acid
PubChem CID46316065
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name3-pyridin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccncc1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-9(2-1-5-13-10)8-3-6-12-7-4-8/h1-7H,(H,14,15)
InChIKeyPSNMAVKTQNITEV-UHFFFAOYSA-N
XLogP1.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylpyridine-2-carboxylic acid
CID 2762789
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-(3-carboxy-4-pyridinyl)pyridine-2-carboxylic acid
CID 67796910
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 154069923
pyridine-2,3-dicarboxylic acid
CID 1066
3-(1H-indol-6-yl)pyridine-2-carboxylic acid
CID 175760025
3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 134462707

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpyridine-2-carboxylic acid?
The IUPAC name of 3-pyridin-4-ylpyridine-2-carboxylic acid (CID 46316065) is 3-pyridin-4-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-pyridin-4-ylpyridine-2-carboxylic acid?
The canonical SMILES for 3-pyridin-4-ylpyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1ccncc1.
What is the InChIKey of 3-pyridin-4-ylpyridine-2-carboxylic acid?
The InChIKey is PSNMAVKTQNITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)10-9(2-1-5-13-10)8-3-6-12-7-4-8/h1-7H,(H,14,15).
What are the key properties of 3-pyridin-4-ylpyridine-2-carboxylic acid?
3-pyridin-4-ylpyridine-2-carboxylic acid has a molecular weight of 200.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 46316065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).