3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde

C7H3Cl2F2NO — CID 130099393

IUPAC3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F2NO/c8-5-3(7(10)11)1-12-4(2-13)6(5)9/h1-2,7H
InChIKeyPMMZNXVZGHGNFJ-UHFFFAOYSA-N
MW226.01 g/mol
LogP3.14
Rot. Bonds2

About 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde

3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130099393) has the molecular formula C7H3Cl2F2NO and a molecular weight of 226.01 g/mol. Its IUPAC name is 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130099393
Molecular FormulaC7H3Cl2F2NO
Molecular Weight226.01 g/mol
Exact Mass224.96
IUPAC Name3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F2NO/c8-5-3(7(10)11)1-12-4(2-13)6(5)9/h1-2,7H
InChIKeyPMMZNXVZGHGNFJ-UHFFFAOYSA-N
XLogP3.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-5-(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

3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618
3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
5-(difluoromethyl)-4-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104330
5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082471
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130085430
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde (CID 130099393) is 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde is O=Cc1ncc(C(F)F)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is PMMZNXVZGHGNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO/c8-5-3(7(10)11)1-12-4(2-13)6(5)9/h1-2,7H.
What are the key properties of 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde?
3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 226.01 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130099393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).