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

C18H12ClF2N — CID 131869976

IUPAC4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine
SMILESFc1ccccc1-c1nccc(CCl)c1-c1ccccc1F
InChIInChI=1S/C18H12ClF2N/c19-11-12-9-10-22-18(14-6-2-4-8-16(14)21)17(12)13-5-1-3-7-15(13)20/h1-10H,11H2
InChIKeyXGLDZZVPPWRRIX-UHFFFAOYSA-N
MW315.75 g/mol
LogP5.43
Rot. Bonds3

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

4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine (PubChem CID 131869976) has the molecular formula C18H12ClF2N and a molecular weight of 315.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine
PubChem CID131869976
Molecular FormulaC18H12ClF2N
Molecular Weight315.75 g/mol
Exact Mass315.06
IUPAC Name4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine
SMILESFc1ccccc1-c1nccc(CCl)c1-c1ccccc1F
InChIInChI=1S/C18H12ClF2N/c19-11-12-9-10-22-18(14-6-2-4-8-16(14)21)17(12)13-5-1-3-7-15(13)20/h1-10H,11H2
InChIKeyXGLDZZVPPWRRIX-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

4-(bromomethyl)-3-chloro-2-(2-fluorophenyl)pyridine
CID 118800068
4-(chloromethyl)-2,3-bis(4-fluorophenyl)pyridine
CID 131869642
3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
CID 131869939
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
CID 118801728
3-benzyl-2-(2-fluorophenyl)pyridine
CID 175810729
2-(2-fluorophenyl)-3-iodopyridine
CID 46312856
2-fluoro-3-(2-fluorophenyl)-4-methylpyridine
CID 46312589
2-(2-fluorophenyl)-3-iodo-4-methylpyridine
CID 46312841
dichloromethane;1-fluoro-2-phenylbenzene
CID 174471910
1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene
CID 54444470
4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 118704205
2-(2-fluorophenyl)-4-methoxypyridine-3-carbonitrile
CID 72942917

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine?
The IUPAC name of 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine (CID 131869976) is 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine is Fc1ccccc1-c1nccc(CCl)c1-c1ccccc1F.
What is the InChIKey of 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine?
The InChIKey is XGLDZZVPPWRRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N/c19-11-12-9-10-22-18(14-6-2-4-8-16(14)21)17(12)13-5-1-3-7-15(13)20/h1-10H,11H2.
What are the key properties of 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine?
4-(chloromethyl)-2,3-bis(2-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 4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine is sourced from PubChem (CID 131869976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).