6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid

C17H11F2N3O2 — CID 138644135

IUPAC6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)F)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H11F2N3O2/c18-15(19)11-5-3-10(4-6-11)13-8-14(17(23)24)22-16(21-13)12-2-1-7-20-9-12/h1-9,15H,(H,23,24)
InChIKeyWMTBWIICYDXSHE-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.84
Rot. Bonds4

About 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid

6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid (PubChem CID 138644135) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid
PubChem CID138644135
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)F)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H11F2N3O2/c18-15(19)11-5-3-10(4-6-11)13-8-14(17(23)24)22-16(21-13)12-2-1-7-20-9-12/h1-9,15H,(H,23,24)
InChIKeyWMTBWIICYDXSHE-UHFFFAOYSA-N
XLogP3.84
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid (CID 138644135) is 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(C(F)F)cc2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The InChIKey is WMTBWIICYDXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-15(19)11-5-3-10(4-6-11)13-8-14(17(23)24)22-16(21-13)12-2-1-7-20-9-12/h1-9,15H,(H,23,24).
What are the key properties of 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid has a molecular weight of 327.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 138644135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).