2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine

C7H4BrCl2F2N — CID 119022825

IUPAC2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
SMILESFC(F)c1c(Br)ncc(CCl)c1Cl
InChIInChI=1S/C7H4BrCl2F2N/c8-6-4(7(11)12)5(10)3(1-9)2-13-6/h2,7H,1H2
InChIKeyKAQLJMBQPILZPC-UHFFFAOYSA-N
MW290.92 g/mol
LogP4.17
Rot. Bonds2

About 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine

2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine (PubChem CID 119022825) has the molecular formula C7H4BrCl2F2N and a molecular weight of 290.92 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
PubChem CID119022825
Molecular FormulaC7H4BrCl2F2N
Molecular Weight290.92 g/mol
Exact Mass288.89
IUPAC Name2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
SMILESFC(F)c1c(Br)ncc(CCl)c1Cl
InChIInChI=1S/C7H4BrCl2F2N/c8-6-4(7(11)12)5(10)3(1-9)2-13-6/h2,7H,1H2
InChIKeyKAQLJMBQPILZPC-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.92
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
methyl 2-[6-bromo-4-chloro-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134673608
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol
CID 119007028
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
2-bromo-3,5-dichloro-4-(difluoromethyl)pyridine
CID 119019803
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine?
The IUPAC name of 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine (CID 119022825) is 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine?
The canonical SMILES for 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine is FC(F)c1c(Br)ncc(CCl)c1Cl.
What is the InChIKey of 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine?
The InChIKey is KAQLJMBQPILZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2F2N/c8-6-4(7(11)12)5(10)3(1-9)2-13-6/h2,7H,1H2.
What are the key properties of 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine?
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine has a molecular weight of 290.92 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine is sourced from PubChem (CID 119022825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).