4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine

C12H8BrClFN — CID 121264299

IUPAC4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine
SMILESFc1cc(Cc2cc(Br)ccn2)ccc1Cl
InChIInChI=1S/C12H8BrClFN/c13-9-3-4-16-10(7-9)5-8-1-2-11(14)12(15)6-8/h1-4,6-7H,5H2
InChIKeyLLLAAVFCVRXVBE-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.23
Rot. Bonds2

About 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine

4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine (PubChem CID 121264299) has the molecular formula C12H8BrClFN and a molecular weight of 300.56 g/mol. Its IUPAC name is 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine
PubChem CID121264299
Molecular FormulaC12H8BrClFN
Molecular Weight300.56 g/mol
Exact Mass298.95
IUPAC Name4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine
SMILESFc1cc(Cc2cc(Br)ccn2)ccc1Cl
InChIInChI=1S/C12H8BrClFN/c13-9-3-4-16-10(7-9)5-8-1-2-11(14)12(15)6-8/h1-4,6-7H,5H2
InChIKeyLLLAAVFCVRXVBE-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
(-)-Chlorpheniramine
CID 716121
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
2-(4'-Chlorobenzyl)pyridine
CID 78054
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
2-(P-Chlorostyryl)pyridine
CID 219326
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-5-phenylpyridine
CID 2762868
4-(4-Chlorostyryl)pyridine
CID 735607
Cycliramine
CID 22017

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine?
The IUPAC name of 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine (CID 121264299) is 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine.
What is the SMILES notation for 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine?
The canonical SMILES for 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine is Fc1cc(Cc2cc(Br)ccn2)ccc1Cl.
What is the InChIKey of 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine?
The InChIKey is LLLAAVFCVRXVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN/c13-9-3-4-16-10(7-9)5-8-1-2-11(14)12(15)6-8/h1-4,6-7H,5H2.
What are the key properties of 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine?
4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine has a molecular weight of 300.56 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-chloro-3-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 121264299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).