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

C7H5ClF3N — CID 130096360

IUPAC4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
SMILESFc1cc(CCl)c(C(F)F)cn1
InChIInChI=1S/C7H5ClF3N/c8-2-4-1-6(9)12-3-5(4)7(10)11/h1,3,7H,2H2
InChIKeyGBMQWFBKTXQARR-UHFFFAOYSA-N
MW195.57 g/mol
LogP2.90
Rot. Bonds2

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

4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine (PubChem CID 130096360) has the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
PubChem CID130096360
Molecular FormulaC7H5ClF3N
Molecular Weight195.57 g/mol
Exact Mass195.01
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
SMILESFc1cc(CCl)c(C(F)F)cn1
InChIInChI=1S/C7H5ClF3N/c8-2-4-1-6(9)12-3-5(4)7(10)11/h1,3,7H,2H2
InChIKeyGBMQWFBKTXQARR-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.57
LogP ≤ 52.90
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-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134683659
2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119019335
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
5-bromo-4-(difluoromethyl)-2-fluoropyridine
CID 130095003
5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098388
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119024454
6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130104065
3-(chloromethyl)-2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine;hydrochloride
CID 155385696

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine (CID 130096360) is 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine is Fc1cc(CCl)c(C(F)F)cn1.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine?
The InChIKey is GBMQWFBKTXQARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-2-4-1-6(9)12-3-5(4)7(10)11/h1,3,7H,2H2.
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine?
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine has a molecular weight of 195.57 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine is sourced from PubChem (CID 130096360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).