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

C8H6ClF2NO — CID 118849586

IUPAC2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(CCl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO/c9-3-6-7(8(10)11)5(4-13)1-2-12-6/h1-2,4,8H,3H2
InChIKeyXKCSWGKVQHWUJH-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.57
Rot. Bonds3

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

2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde (PubChem CID 118849586) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
PubChem CID118849586
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(CCl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO/c9-3-6-7(8(10)11)5(4-13)1-2-12-6/h1-2,4,8H,3H2
InChIKeyXKCSWGKVQHWUJH-UHFFFAOYSA-N
XLogP2.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 52.57
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'}

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Related Compounds

2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118832698
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122
2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 118855296
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
5-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134673019
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130085194
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine
CID 118832467
6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 118826919
4-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 118844660

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde (CID 118849586) is 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde is O=Cc1ccnc(CCl)c1C(F)F.
What is the InChIKey of 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is XKCSWGKVQHWUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c9-3-6-7(8(10)11)5(4-13)1-2-12-6/h1-2,4,8H,3H2.
What are the key properties of 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde?
2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 205.59 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 118849586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).