2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine

C7H4BrClF3N — CID 130071734

IUPAC2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
SMILESFc1c(CBr)ncc(Cl)c1C(F)F
InChIInChI=1S/C7H4BrClF3N/c8-1-4-6(10)5(7(11)12)3(9)2-13-4/h2,7H,1H2
InChIKeyNODWHYFCZGJNJD-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.71
Rot. Bonds2

About 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine

2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine (PubChem CID 130071734) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
PubChem CID130071734
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
SMILESFc1c(CBr)ncc(Cl)c1C(F)F
InChIInChI=1S/C7H4BrClF3N/c8-1-4-6(10)5(7(11)12)3(9)2-13-4/h2,7H,1H2
InChIKeyNODWHYFCZGJNJD-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.71
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

2-(bromomethyl)-5-chloro-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118849606
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
2-bromo-3,5-dichloro-4-(difluoromethyl)pyridine
CID 119019803
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine (CID 130071734) is 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine is Fc1c(CBr)ncc(Cl)c1C(F)F.
What is the InChIKey of 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine?
The InChIKey is NODWHYFCZGJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-1-4-6(10)5(7(11)12)3(9)2-13-4/h2,7H,1H2.
What are the key properties of 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine?
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine has a molecular weight of 274.47 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 130071734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).