4-(3-chloro-2-pyridinyl)benzaldehyde

C12H8ClNO — CID 53426238

IUPAC4-(3-chloro-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2ncccc2Cl)cc1
InChIInChI=1S/C12H8ClNO/c13-11-2-1-7-14-12(11)10-5-3-9(8-15)4-6-10/h1-8H
InChIKeyYIFFQBGLZFQCDS-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.21
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)benzaldehyde

4-(3-chloro-2-pyridinyl)benzaldehyde (PubChem CID 53426238) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)benzaldehyde
PubChem CID53426238
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name4-(3-chloro-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2ncccc2Cl)cc1
InChIInChI=1S/C12H8ClNO/c13-11-2-1-7-14-12(11)10-5-3-9(8-15)4-6-10/h1-8H
InChIKeyYIFFQBGLZFQCDS-UHFFFAOYSA-N
XLogP3.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)benzaldehyde?
The IUPAC name of 4-(3-chloro-2-pyridinyl)benzaldehyde (CID 53426238) is 4-(3-chloro-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)benzaldehyde?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)benzaldehyde is O=Cc1ccc(-c2ncccc2Cl)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)benzaldehyde?
The InChIKey is YIFFQBGLZFQCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c13-11-2-1-7-14-12(11)10-5-3-9(8-15)4-6-10/h1-8H.
What are the key properties of 4-(3-chloro-2-pyridinyl)benzaldehyde?
4-(3-chloro-2-pyridinyl)benzaldehyde has a molecular weight of 217.66 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 53426238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).