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

C7H4Cl2F3N — CID 130071815

IUPAC4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
SMILESFc1ncc(CCl)c(Cl)c1C(F)F
InChIInChI=1S/C7H4Cl2F3N/c8-1-3-2-13-7(12)4(5(3)9)6(10)11/h2,6H,1H2
InChIKeyJIQZUCPROKXABO-UHFFFAOYSA-N
MW230.02 g/mol
LogP3.55
Rot. Bonds2

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

4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine (PubChem CID 130071815) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
PubChem CID130071815
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
SMILESFc1ncc(CCl)c(Cl)c1C(F)F
InChIInChI=1S/C7H4Cl2F3N/c8-1-3-2-13-7(12)4(5(3)9)6(10)11/h2,6H,1H2
InChIKeyJIQZUCPROKXABO-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 53.55
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

2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683
2-[5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082416
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
CID 130081038
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine?
The IUPAC name of 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine (CID 130071815) is 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine is Fc1ncc(CCl)c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine?
The InChIKey is JIQZUCPROKXABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-1-3-2-13-7(12)4(5(3)9)6(10)11/h2,6H,1H2.
What are the key properties of 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine?
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine has a molecular weight of 230.02 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine is sourced from PubChem (CID 130071815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).