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

C8H6ClF2NO — CID 118822221

IUPAC4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1c(C(F)F)ncc(C=O)c1Cl
InChIInChI=1S/C8H6ClF2NO/c1-4-6(9)5(3-13)2-12-7(4)8(10)11/h2-3,8H,1H3
InChIKeyOPCAOUZCFNSEKG-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.79
Rot. Bonds2

About 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde

4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (PubChem CID 118822221) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
PubChem CID118822221
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1c(C(F)F)ncc(C=O)c1Cl
InChIInChI=1S/C8H6ClF2NO/c1-4-6(9)5(3-13)2-12-7(4)8(10)11/h2-3,8H,1H3
InChIKeyOPCAOUZCFNSEKG-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
4-chloro-6-(difluoromethyl)-5-methylpyridin-3-ol
CID 130072333
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
3,5-dichloro-2-(difluoromethyl)-4-methylpyridine
CID 130099262
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118845258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde (CID 118822221) is 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is Cc1c(C(F)F)ncc(C=O)c1Cl.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is OPCAOUZCFNSEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c1-4-6(9)5(3-13)2-12-7(4)8(10)11/h2-3,8H,1H3.
What are the key properties of 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde?
4-chloro-6-(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 4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118822221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).