3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde

C8H5Cl2F2NO — CID 130075614

IUPAC3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(CCl)c1Cl
InChIInChI=1S/C8H5Cl2F2NO/c9-2-4-1-5(8(11)12)13-6(3-14)7(4)10/h1,3,8H,2H2
InChIKeyHYHAHNAZSHNIRA-UHFFFAOYSA-N
MW240.04 g/mol
LogP3.22
Rot. Bonds3

About 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde

3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130075614) has the molecular formula C8H5Cl2F2NO and a molecular weight of 240.04 g/mol. Its IUPAC name is 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130075614
Molecular FormulaC8H5Cl2F2NO
Molecular Weight240.04 g/mol
Exact Mass238.97
IUPAC Name3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(CCl)c1Cl
InChIInChI=1S/C8H5Cl2F2NO/c9-2-4-1-5(8(11)12)13-6(3-14)7(4)10/h1,3,8H,2H2
InChIKeyHYHAHNAZSHNIRA-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde 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-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 130075614) is 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(C(F)F)cc(CCl)c1Cl.
What is the InChIKey of 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is HYHAHNAZSHNIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO/c9-2-4-1-5(8(11)12)13-6(3-14)7(4)10/h1,3,8H,2H2.
What are the key properties of 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 240.04 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130075614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).