6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine

C7H4ClF4N — CID 130099800

IUPAC6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
SMILESFc1cc(CCl)nc(C(F)F)c1F
InChIInChI=1S/C7H4ClF4N/c8-2-3-1-4(9)5(10)6(13-3)7(11)12/h1,7H,2H2
InChIKeyMEACMJGYOCOVLF-UHFFFAOYSA-N
MW213.56 g/mol
LogP3.04
Rot. Bonds2

About 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine

6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine (PubChem CID 130099800) has the molecular formula C7H4ClF4N and a molecular weight of 213.56 g/mol. Its IUPAC name is 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine.

Molecular Properties

Compound Name6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
PubChem CID130099800
Molecular FormulaC7H4ClF4N
Molecular Weight213.56 g/mol
Exact Mass213.00
IUPAC Name6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
SMILESFc1cc(CCl)nc(C(F)F)c1F
InChIInChI=1S/C7H4ClF4N/c8-2-3-1-4(9)5(10)6(13-3)7(11)12/h1,7H,2H2
InChIKeyMEACMJGYOCOVLF-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.56
LogP ≤ 53.04
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

3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130068320
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 130080071
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
6-(difluoromethyl)-4,5-difluoropyridine-2-sulfonyl chloride
CID 130099948
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130085231

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine?
The IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine (CID 130099800) is 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine.
What is the SMILES notation for 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine?
The canonical SMILES for 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine is Fc1cc(CCl)nc(C(F)F)c1F.
What is the InChIKey of 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine?
The InChIKey is MEACMJGYOCOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4N/c8-2-3-1-4(9)5(10)6(13-3)7(11)12/h1,7H,2H2.
What are the key properties of 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine?
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine has a molecular weight of 213.56 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine is sourced from PubChem (CID 130099800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).