2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid

C11H6N4O2 — CID 130454649

IUPAC2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid
SMILESN#Cc1cc(-c2nccc(C(=O)O)n2)ccn1
InChIInChI=1S/C11H6N4O2/c12-6-8-5-7(1-3-13-8)10-14-4-2-9(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyXPNFWQSXZLTXAO-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.11
Rot. Bonds2

About 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid

2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 130454649) has the molecular formula C11H6N4O2 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID130454649
Molecular FormulaC11H6N4O2
Molecular Weight226.19 g/mol
Exact Mass226.05
IUPAC Name2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid
SMILESN#Cc1cc(-c2nccc(C(=O)O)n2)ccn1
InChIInChI=1S/C11H6N4O2/c12-6-8-5-7(1-3-13-8)10-14-4-2-9(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyXPNFWQSXZLTXAO-UHFFFAOYSA-N
XLogP1.11
TPSA99.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4,6-bis[4-(2-cyano-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 118397929
2-(1,3-benzothiazol-6-yl)pyrimidine-4-carboxylic acid
CID 68517724
2-[4-(3-cyanobutoxy)phenyl]pyrimidine-4-carboxylic acid
CID 175125245
2-(2-cyano-4-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 156772337
2-[4-(difluoromethyl)phenyl]pyrimidine-4-carboxylic acid
CID 151396435
2-(3-ethoxy-4-ethoxycarbonylphenyl)pyrimidine-4-carboxylic acid
CID 145227831
2-bromopyrimidine-4-carboxylic acid
CID 72710417
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-4-carboxylic acid
CID 64588955
4-(2-hydroxyphenyl)pyridine-2-carbonitrile
CID 136982033
4-[(6-cyano-3-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 113321077
1-[(2-cyano-4-pyridinyl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 114696058
2-[(2-cyano-4-pyridinyl)sulfanyl]benzoic acid
CID 62926030

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid (CID 130454649) is 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid is N#Cc1cc(-c2nccc(C(=O)O)n2)ccn1.
What is the InChIKey of 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is XPNFWQSXZLTXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O2/c12-6-8-5-7(1-3-13-8)10-14-4-2-9(15-10)11(16)17/h1-5H,(H,16,17).
What are the key properties of 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid?
2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 130454649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).