6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde

C12H7ClFNO — CID 175646824

IUPAC6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2Cl)nc1
InChIInChI=1S/C12H7ClFNO/c13-11-5-9(14)2-3-10(11)12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyKRNYZRGOYLGODS-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.35
Rot. Bonds2

About 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde

6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde (PubChem CID 175646824) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
PubChem CID175646824
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2Cl)nc1
InChIInChI=1S/C12H7ClFNO/c13-11-5-9(14)2-3-10(11)12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyKRNYZRGOYLGODS-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.35
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

6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde
CID 175646834
6-(2,3-dichlorophenyl)pyridine-3-carbaldehyde
CID 24730313
2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
CID 178073316
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
2-(2-chloro-4-fluorophenyl)-5-(2,2-difluoroethenyl)pyrazine
CID 178073470
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
CID 79717980
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981
3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde
CID 122476961
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde
CID 18426842
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde (CID 175646824) is 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2ccc(F)cc2Cl)nc1.
What is the InChIKey of 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is KRNYZRGOYLGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-11-5-9(14)2-3-10(11)12-4-1-8(7-16)6-15-12/h1-7H.
What are the key properties of 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde?
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 235.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 175646824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).