4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde

C8H5ClF3NO — CID 130082275

IUPAC4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(CCl)c1F
InChIInChI=1S/C8H5ClF3NO/c9-2-4-1-5(8(11)12)13-6(3-14)7(4)10/h1,3,8H,2H2
InChIKeyHQHZRWHAMFYXLD-UHFFFAOYSA-N
MW223.58 g/mol
LogP2.71
Rot. Bonds3

About 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde

4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde (PubChem CID 130082275) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
PubChem CID130082275
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)cc(CCl)c1F
InChIInChI=1S/C8H5ClF3NO/c9-2-4-1-5(8(11)12)13-6(3-14)7(4)10/h1,3,8H,2H2
InChIKeyHQHZRWHAMFYXLD-UHFFFAOYSA-N
XLogP2.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 52.71
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

3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
4-(chloromethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134671147
4-(aminomethyl)-3-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 118829181
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079502
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
6-(difluoromethyl)-3-fluoro-2-formylpyridine-4-carbonitrile
CID 118844899
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde (CID 130082275) is 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde is O=Cc1nc(C(F)F)cc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
The InChIKey is HQHZRWHAMFYXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/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 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde?
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde has a molecular weight of 223.58 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 130082275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).