2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine

C18H12ClF2N — CID 131869651

IUPAC2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cnc(CCl)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C18H12ClF2N/c19-10-18-17(13-3-7-16(21)8-4-13)9-14(11-22-18)12-1-5-15(20)6-2-12/h1-9,11H,10H2
InChIKeyLJBYZBKGTFLFCJ-UHFFFAOYSA-N
MW315.75 g/mol
LogP5.43
Rot. Bonds3

About 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine

2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine (PubChem CID 131869651) has the molecular formula C18H12ClF2N and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine
PubChem CID131869651
Molecular FormulaC18H12ClF2N
Molecular Weight315.75 g/mol
Exact Mass315.06
IUPAC Name2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cnc(CCl)c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C18H12ClF2N/c19-10-18-17(13-3-7-16(21)8-4-13)9-14(11-22-18)12-1-5-15(20)6-2-12/h1-9,11H,10H2
InChIKeyLJBYZBKGTFLFCJ-UHFFFAOYSA-N
XLogP5.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.75
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(chloromethyl)phenyl]-5-(4-fluorophenyl)pyrazolo[1,5-b]pyridazine
CID 177316412
5-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
CID 131870202
3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium
CID 59104701
5-(4-fluorophenyl)pyrimidine-2-carbonitrile
CID 608076
3-(chloromethyl)-4-(4-fluorophenyl)-1-methylpyrazole
CID 154672779
2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255
2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
3-(bromomethyl)-5-(4-fluorophenyl)-2-methoxypyridine
CID 131870481
5-(4-fluorophenyl)pyrazolo[1,5-b]pyridazine
CID 177316327
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
7-[4-(4-fluorophenyl)phenyl]-3-(4-naphthalen-1-ylphenyl)quinoline
CID 169293904

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine?
The IUPAC name of 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine (CID 131869651) is 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine is Fc1ccc(-c2cnc(CCl)c(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine?
The InChIKey is LJBYZBKGTFLFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N/c19-10-18-17(13-3-7-16(21)8-4-13)9-14(11-22-18)12-1-5-15(20)6-2-12/h1-9,11H,10H2.
What are the key properties of 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine?
2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine has a molecular weight of 315.75 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3,5-bis(4-fluorophenyl)pyridine is sourced from PubChem (CID 131869651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).