2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol

C7H5Cl2F2NO — CID 130072471

IUPAC2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
SMILESOc1c(CCl)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H5Cl2F2NO/c8-2-3-1-4(7(10)11)12-6(9)5(3)13/h1,7,13H,2H2
InChIKeyWHEPGCAEABOZNF-UHFFFAOYSA-N
MW228.02 g/mol
LogP3.12
Rot. Bonds2

About 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol

2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol (PubChem CID 130072471) has the molecular formula C7H5Cl2F2NO and a molecular weight of 228.02 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
PubChem CID130072471
Molecular FormulaC7H5Cl2F2NO
Molecular Weight228.02 g/mol
Exact Mass226.97
IUPAC Name2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
SMILESOc1c(CCl)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H5Cl2F2NO/c8-2-3-1-4(7(10)11)12-6(9)5(3)13/h1,7,13H,2H2
InChIKeyWHEPGCAEABOZNF-UHFFFAOYSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.02
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 119019383
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130087399
4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
CID 130085164
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-amine
CID 130102646
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol (CID 130072471) is 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol is Oc1c(CCl)cc(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol?
The InChIKey is WHEPGCAEABOZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO/c8-2-3-1-4(7(10)11)12-6(9)5(3)13/h1,7,13H,2H2.
What are the key properties of 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol?
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol has a molecular weight of 228.02 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130072471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).