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

C8H6ClF2NO — CID 119005034

IUPAC2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H6ClF2NO/c1-4-2-5(3-13)6(8(10)11)7(9)12-4/h2-3,8H,1H3
InChIKeyPWPBXBKPJGRDSH-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.79
Rot. Bonds2

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

2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde (PubChem CID 119005034) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
PubChem CID119005034
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H6ClF2NO/c1-4-2-5(3-13)6(8(10)11)7(9)12-4/h2-3,8H,1H3
InChIKeyPWPBXBKPJGRDSH-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde (CID 119005034) is 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde is Cc1cc(C=O)c(C(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde?
The InChIKey is PWPBXBKPJGRDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c1-4-2-5(3-13)6(8(10)11)7(9)12-4/h2-3,8H,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde?
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-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 2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 119005034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).