2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde

C7H3Cl2F2NO — CID 119009671

IUPAC2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F2NO/c8-5-3(2-13)1-4(7(10)11)12-6(5)9/h1-2,7H
InChIKeyXIIZTLLKCRNXDY-UHFFFAOYSA-N
MW226.01 g/mol
LogP3.14
Rot. Bonds2

About 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde

2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 119009671) has the molecular formula C7H3Cl2F2NO and a molecular weight of 226.01 g/mol. Its IUPAC name is 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID119009671
Molecular FormulaC7H3Cl2F2NO
Molecular Weight226.01 g/mol
Exact Mass224.96
IUPAC Name2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)nc(Cl)c1Cl
InChIInChI=1S/C7H3Cl2F2NO/c8-5-3(2-13)1-4(7(10)11)12-6(5)9/h1-2,7H
InChIKeyXIIZTLLKCRNXDY-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119020715
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075601
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde (CID 119009671) is 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(C(F)F)nc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is XIIZTLLKCRNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F2NO/c8-5-3(2-13)1-4(7(10)11)12-6(5)9/h1-2,7H.
What are the key properties of 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde?
2,3-dichloro-6-(difluoromethyl)pyridine-4-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 2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 119009671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).