2-fluoro-5-pyridin-4-ylpyrimidine

C9H6FN3 — CID 46315835

IUPAC2-fluoro-5-pyridin-4-ylpyrimidine
SMILESFc1ncc(-c2ccncc2)cn1
InChIInChI=1S/C9H6FN3/c10-9-12-5-8(6-13-9)7-1-3-11-4-2-7/h1-6H
InChIKeyMKSCOBFCIFBYJI-UHFFFAOYSA-N
MW175.17 g/mol
LogP1.68
Rot. Bonds1

About 2-fluoro-5-pyridin-4-ylpyrimidine

2-fluoro-5-pyridin-4-ylpyrimidine (PubChem CID 46315835) has the molecular formula C9H6FN3 and a molecular weight of 175.17 g/mol. Its IUPAC name is 2-fluoro-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2-fluoro-5-pyridin-4-ylpyrimidine
PubChem CID46315835
Molecular FormulaC9H6FN3
Molecular Weight175.17 g/mol
Exact Mass175.05
IUPAC Name2-fluoro-5-pyridin-4-ylpyrimidine
SMILESFc1ncc(-c2ccncc2)cn1
InChIInChI=1S/C9H6FN3/c10-9-12-5-8(6-13-9)7-1-3-11-4-2-7/h1-6H
InChIKeyMKSCOBFCIFBYJI-UHFFFAOYSA-N
XLogP1.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-5-pyridin-4-ylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;2-methyl-5-pyridin-4-ylpyrimidine
CID 144571989
gold;4-pyridin-4-ylpyridine
CID 159917709
4-pyridin-4-ylpyridine;bis(trifluoroborane)
CID 14319291
ethane;4-pyridin-4-ylpyridine
CID 142013036
4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
CID 22416326
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 46315833
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
5-(3,5-dichlorophenyl)-2-fluoropyrimidine
CID 130167090
4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
CID 87660487
N-methyl-5-pyridin-4-ylpyridin-2-amine
CID 12774637

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyridin-4-ylpyrimidine?
The IUPAC name of 2-fluoro-5-pyridin-4-ylpyrimidine (CID 46315835) is 2-fluoro-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for 2-fluoro-5-pyridin-4-ylpyrimidine?
The canonical SMILES for 2-fluoro-5-pyridin-4-ylpyrimidine is Fc1ncc(-c2ccncc2)cn1.
What is the InChIKey of 2-fluoro-5-pyridin-4-ylpyrimidine?
The InChIKey is MKSCOBFCIFBYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3/c10-9-12-5-8(6-13-9)7-1-3-11-4-2-7/h1-6H.
What are the key properties of 2-fluoro-5-pyridin-4-ylpyrimidine?
2-fluoro-5-pyridin-4-ylpyrimidine has a molecular weight of 175.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 46315835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).