2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C16H10FN3O2 — CID 56873737

IUPAC2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C16H10FN3O2/c17-12-4-2-1-3-11(12)15-19-8-6-13(20-15)14-9-10(16(21)22)5-7-18-14/h1-9H,(H,21,22)
InChIKeyGNMNWPAXLBHXJC-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.04
Rot. Bonds3

About 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 56873737) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID56873737
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(-c3ccccc3F)n2)c1
InChIInChI=1S/C16H10FN3O2/c17-12-4-2-1-3-11(12)15-19-8-6-13(20-15)14-9-10(16(21)22)5-7-18-14/h1-9H,(H,21,22)
InChIKeyGNMNWPAXLBHXJC-UHFFFAOYSA-N
XLogP3.04
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
ethane;4-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid
CID 143218295
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403
2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid
CID 115113761
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 56873737) is 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(-c3ccccc3F)n2)c1.
What is the InChIKey of 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is GNMNWPAXLBHXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c17-12-4-2-1-3-11(12)15-19-8-6-13(20-15)14-9-10(16(21)22)5-7-18-14/h1-9H,(H,21,22).
What are the key properties of 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 56873737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).