2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine

C7H4Cl2F3N — CID 119019350

IUPAC2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
SMILESFc1cc(C(F)F)c(CCl)nc1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-2-5-3(7(11)12)1-4(10)6(9)13-5/h1,7H,2H2
InChIKeyUZRCKJAYAFLWMZ-UHFFFAOYSA-N
MW230.02 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine

2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine (PubChem CID 119019350) has the molecular formula C7H4Cl2F3N and a molecular weight of 230.02 g/mol. Its IUPAC name is 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
PubChem CID119019350
Molecular FormulaC7H4Cl2F3N
Molecular Weight230.02 g/mol
Exact Mass228.97
IUPAC Name2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
SMILESFc1cc(C(F)F)c(CCl)nc1Cl
InChIInChI=1S/C7H4Cl2F3N/c8-2-5-3(7(11)12)1-4(10)6(9)13-5/h1,7H,2H2
InChIKeyUZRCKJAYAFLWMZ-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-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789
6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012569
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 130071793
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130098354
6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130104065
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine (CID 119019350) is 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine is Fc1cc(C(F)F)c(CCl)nc1Cl.
What is the InChIKey of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine?
The InChIKey is UZRCKJAYAFLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N/c8-2-5-3(7(11)12)1-4(10)6(9)13-5/h1,7H,2H2.
What are the key properties of 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine?
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-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 2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 119019350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).