3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde

C8H6ClF2NO2 — CID 130073917

IUPAC3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H6ClF2NO2/c1-14-5-2-4(3-13)6(9)7(12-5)8(10)11/h2-3,8H,1H3
InChIKeyPQPUZKICPJHYLR-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.49
Rot. Bonds3

About 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde

3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde (PubChem CID 130073917) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
PubChem CID130073917
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H6ClF2NO2/c1-14-5-2-4(3-13)6(9)7(12-5)8(10)11/h2-3,8H,1H3
InChIKeyPQPUZKICPJHYLR-UHFFFAOYSA-N
XLogP2.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 130087961
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 130074025
2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118831628
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753
2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
2-(difluoromethyl)-6-methoxy-3-methylpyridine
CID 130097304

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde (CID 130073917) is 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde is COc1cc(C=O)c(Cl)c(C(F)F)n1.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde?
The InChIKey is PQPUZKICPJHYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-14-5-2-4(3-13)6(9)7(12-5)8(10)11/h2-3,8H,1H3.
What are the key properties of 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde?
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde has a molecular weight of 221.59 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 130073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).