4-(2-fluoro-3-pyridinyl)pyrimidine

C9H6FN3 — CID 67036363

IUPAC4-(2-fluoro-3-pyridinyl)pyrimidine
SMILESFc1ncccc1-c1ccncn1
InChIInChI=1S/C9H6FN3/c10-9-7(2-1-4-12-9)8-3-5-11-6-13-8/h1-6H
InChIKeyFFLHUNRCOMGAAE-UHFFFAOYSA-N
MW175.17 g/mol
LogP1.68
Rot. Bonds1

About 4-(2-fluoro-3-pyridinyl)pyrimidine

4-(2-fluoro-3-pyridinyl)pyrimidine (PubChem CID 67036363) has the molecular formula C9H6FN3 and a molecular weight of 175.17 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)pyrimidine
PubChem CID67036363
Molecular FormulaC9H6FN3
Molecular Weight175.17 g/mol
Exact Mass175.05
IUPAC Name4-(2-fluoro-3-pyridinyl)pyrimidine
SMILESFc1ncccc1-c1ccncn1
InChIInChI=1S/C9H6FN3/c10-9-7(2-1-4-12-9)8-3-5-11-6-13-8/h1-6H
InChIKeyFFLHUNRCOMGAAE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzoic acid
CID 66970398
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
2-chloro-3-pyrimidin-4-ylbenzenethiol
CID 166070548
4,5-difluoro-2-pyrimidin-4-ylbenzaldehyde
CID 89485663
2-(2-fluoro-6-pyrimidin-4-ylphenyl)-5-methyl-1,3,4-oxadiazole
CID 145311662
4-[2-(methylsulfanylmethyl)phenyl]pyrimidine
CID 174847327
3-(4-bromophenyl)-2-fluoropyridine
CID 66862736
4-(4-iodo-3-pyridinyl)pyrimidine
CID 147379627
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
difluoromethyl 2-pyrimidin-4-ylbenzoate
CID 154928192

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-pyridinyl)pyrimidine?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)pyrimidine (CID 67036363) is 4-(2-fluoro-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)pyrimidine is Fc1ncccc1-c1ccncn1.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)pyrimidine?
The InChIKey is FFLHUNRCOMGAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3/c10-9-7(2-1-4-12-9)8-3-5-11-6-13-8/h1-6H.
What are the key properties of 4-(2-fluoro-3-pyridinyl)pyrimidine?
4-(2-fluoro-3-pyridinyl)pyrimidine 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 4-(2-fluoro-3-pyridinyl)pyrimidine is sourced from PubChem (CID 67036363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).