2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine

C18H13BrFN — CID 162406147

IUPAC2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine
SMILESFc1ccc(C(c2ccccc2)c2ccccn2)c(Br)c1
InChIInChI=1S/C18H13BrFN/c19-16-12-14(20)9-10-15(16)18(13-6-2-1-3-7-13)17-8-4-5-11-21-17/h1-12,18H
InChIKeyPAUWQGYWEIRPEM-UHFFFAOYSA-N
MW342.21 g/mol
LogP5.16
Rot. Bonds3

About 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine

2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine (PubChem CID 162406147) has the molecular formula C18H13BrFN and a molecular weight of 342.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine
PubChem CID162406147
Molecular FormulaC18H13BrFN
Molecular Weight342.21 g/mol
Exact Mass341.02
IUPAC Name2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine
SMILESFc1ccc(C(c2ccccc2)c2ccccn2)c(Br)c1
InChIInChI=1S/C18H13BrFN/c19-16-12-14(20)9-10-15(16)18(13-6-2-1-3-7-13)17-8-4-5-11-21-17/h1-12,18H
InChIKeyPAUWQGYWEIRPEM-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.21
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Brompheniramine
CID 6834
Zimelidine
CID 5365247
Dexbrompheniramine
CID 16960
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
3-Bromoquinoline
CID 21413
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
5-Bromoquinoline
CID 817321
5-Phenyl-2-propylpyridine
CID 529355
4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616
4-(4''-Fluoro-biphenyl-4-ylmethyl)pyridine
CID 49864196
2-Methyl-5-phenylpyridine
CID 76744

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine (CID 162406147) is 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine is Fc1ccc(C(c2ccccc2)c2ccccn2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine?
The InChIKey is PAUWQGYWEIRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN/c19-16-12-14(20)9-10-15(16)18(13-6-2-1-3-7-13)17-8-4-5-11-21-17/h1-12,18H.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine?
2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine has a molecular weight of 342.21 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)-phenylmethyl]pyridine is sourced from PubChem (CID 162406147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).