6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde

C8H6ClF2NO — CID 130074332

IUPAC6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)nc1Cl
InChIInChI=1S/C8H6ClF2NO/c1-4-2-5(3-13)6(8(10)11)12-7(4)9/h2-3,8H,1H3
InChIKeyLLFSZMJVGVXXHN-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.79
Rot. Bonds2

About 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde

6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (PubChem CID 130074332) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
PubChem CID130074332
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)nc1Cl
InChIInChI=1S/C8H6ClF2NO/c1-4-2-5(3-13)6(8(10)11)12-7(4)9/h2-3,8H,1H3
InChIKeyLLFSZMJVGVXXHN-UHFFFAOYSA-N
XLogP2.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 52.79
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

6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
2-chloro-6-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 118999833
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075601
[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 119006322
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
6-amino-2-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 119014251
2,3-dichloro-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 119009671
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753
6-chloro-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 155970404
4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118822221

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (CID 130074332) is 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)c(C(F)F)nc1Cl.
What is the InChIKey of 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is LLFSZMJVGVXXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c1-4-2-5(3-13)6(8(10)11)12-7(4)9/h2-3,8H,1H3.
What are the key properties of 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 205.59 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 130074332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).