2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid

C15H10N4O2 — CID 56861601

IUPAC2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(-c3ccncc3)n2)c1
InChIInChI=1S/C15H10N4O2/c20-15(21)11-3-7-17-13(9-11)12-4-8-18-14(19-12)10-1-5-16-6-2-10/h1-9H,(H,20,21)
InChIKeyHJGWXZYPAKQBRC-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid

2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid (PubChem CID 56861601) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
PubChem CID56861601
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(-c3ccncc3)n2)c1
InChIInChI=1S/C15H10N4O2/c20-15(21)11-3-7-17-13(9-11)12-4-8-18-14(19-12)10-1-5-16-6-2-10/h1-9H,(H,20,21)
InChIKeyHJGWXZYPAKQBRC-UHFFFAOYSA-N
XLogP2.30
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
3-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid
CID 11580141
2-(4-carboxy-2-pyridinyl)-6-[4-(2-pyridin-4-ylethynyl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 145151404
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
3-amino-6-(4-carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 140591026
2-[2-(2-methylpropyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56878845
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
pyridine;pyridine-2,4-dicarboxylic acid
CID 159305579
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid (CID 56861601) is 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(-c3ccncc3)n2)c1.
What is the InChIKey of 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid?
The InChIKey is HJGWXZYPAKQBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-15(21)11-3-7-17-13(9-11)12-4-8-18-14(19-12)10-1-5-16-6-2-10/h1-9H,(H,20,21).
What are the key properties of 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid?
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 56861601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).