2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde

C7H4ClF2NO — CID 119012940

IUPAC2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)ccnc1Cl
InChIInChI=1S/C7H4ClF2NO/c8-6-5(3-12)4(7(9)10)1-2-11-6/h1-3,7H
InChIKeyXDQYNWJBJMDMIY-UHFFFAOYSA-N
MW191.56 g/mol
LogP2.49
Rot. Bonds2

About 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde

2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 119012940) has the molecular formula C7H4ClF2NO and a molecular weight of 191.56 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID119012940
Molecular FormulaC7H4ClF2NO
Molecular Weight191.56 g/mol
Exact Mass190.99
IUPAC Name2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)ccnc1Cl
InChIInChI=1S/C7H4ClF2NO/c8-6-5(3-12)4(7(9)10)1-2-11-6/h1-3,7H
InChIKeyXDQYNWJBJMDMIY-UHFFFAOYSA-N
XLogP2.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.56
LogP ≤ 52.49
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

2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130095750
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
2-chloro-4-(methylamino)pyridine-3-carbaldehyde
CID 118240755
4-chloro-2-(difluoromethoxy)pyridine-3-carbaldehyde
CID 118839602
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
2-(difluoromethyl)-6-fluorobenzaldehyde
CID 84654806
2-(difluoromethyl)-6-hydroxybenzaldehyde
CID 84654276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde (CID 119012940) is 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(C(F)F)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is XDQYNWJBJMDMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO/c8-6-5(3-12)4(7(9)10)1-2-11-6/h1-3,7H.
What are the key properties of 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde?
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 191.56 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 119012940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).