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

C7H4BrClF3N — CID 118855098

IUPAC2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
SMILESFc1cnc(CBr)c(C(F)F)c1Cl
InChIInChI=1S/C7H4BrClF3N/c8-1-4-5(7(11)12)6(9)3(10)2-13-4/h2,7H,1H2
InChIKeyBLNMMXCHAYFDIA-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.71
Rot. Bonds2

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

2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine (PubChem CID 118855098) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
PubChem CID118855098
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
SMILESFc1cnc(CBr)c(C(F)F)c1Cl
InChIInChI=1S/C7H4BrClF3N/c8-1-4-5(7(11)12)6(9)3(10)2-13-4/h2,7H,1H2
InChIKeyBLNMMXCHAYFDIA-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

6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
2-[2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 130081759
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690
2-(bromomethyl)-5-chloro-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118849606
2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130081801

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine?
The IUPAC name of 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine (CID 118855098) is 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine?
The canonical SMILES for 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine is Fc1cnc(CBr)c(C(F)F)c1Cl.
What is the InChIKey of 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine?
The InChIKey is BLNMMXCHAYFDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-1-4-5(7(11)12)6(9)3(10)2-13-4/h2,7H,1H2.
What are the key properties of 2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine?
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-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)-4-chloro-3-(difluoromethyl)-5-fluoropyridine is sourced from PubChem (CID 118855098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).