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

C7H5Cl2F2N — CID 130095522

IUPAC3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1nccc(CCl)c1Cl
InChIInChI=1S/C7H5Cl2F2N/c8-3-4-1-2-12-6(5(4)9)7(10)11/h1-2,7H,3H2
InChIKeyVKFXQNWMNWJUFG-UHFFFAOYSA-N
MW212.03 g/mol
LogP3.41
Rot. Bonds2

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

3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine (PubChem CID 130095522) has the molecular formula C7H5Cl2F2N and a molecular weight of 212.03 g/mol. Its IUPAC name is 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
PubChem CID130095522
Molecular FormulaC7H5Cl2F2N
Molecular Weight212.03 g/mol
Exact Mass210.98
IUPAC Name3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
SMILESFC(F)c1nccc(CCl)c1Cl
InChIInChI=1S/C7H5Cl2F2N/c8-3-4-1-2-12-6(5(4)9)7(10)11/h1-2,7H,3H2
InChIKeyVKFXQNWMNWJUFG-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 53.41
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

2-[4-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134683944
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
4-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095951
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
3-chloro-4-(chloromethyl)pyridine-2-carboxylic acid
CID 174890326
2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol
CID 130097081
2-(difluoromethyl)-4-(hydroxymethyl)pyridin-3-ol
CID 118820346
4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
4-(aminomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130097022
4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine
CID 130094718
2,3-dichloro-1-(chloromethyl)-4-(difluoromethoxy)benzene
CID 118849305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The IUPAC name of 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine (CID 130095522) is 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The canonical SMILES for 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine is FC(F)c1nccc(CCl)c1Cl.
What is the InChIKey of 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
The InChIKey is VKFXQNWMNWJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2N/c8-3-4-1-2-12-6(5(4)9)7(10)11/h1-2,7H,3H2.
What are the key properties of 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine?
3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine has a molecular weight of 212.03 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine is sourced from PubChem (CID 130095522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).