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

C13H10ClNO — CID 86223770

IUPAC2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccccc1-c1ccnc(Cl)c1C=O
InChIInChI=1S/C13H10ClNO/c1-9-4-2-3-5-10(9)11-6-7-15-13(14)12(11)8-16/h2-8H,1H3
InChIKeyAMEOUAPJMORXRJ-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.52
Rot. Bonds2

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

2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde (PubChem CID 86223770) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde
PubChem CID86223770
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccccc1-c1ccnc(Cl)c1C=O
InChIInChI=1S/C13H10ClNO/c1-9-4-2-3-5-10(9)11-6-7-15-13(14)12(11)8-16/h2-8H,1H3
InChIKeyAMEOUAPJMORXRJ-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.52
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

Phenyl-3-pyridinylmethanone
CID 21540
4-(4'-Chlorobenzoyl)pyridine
CID 98503
2-Chloro-3-pyridinecarboxaldehyde
CID 737607
3-(2-Chlorophenyl)-1-(3-pyridinyl)-2-propen-1-one
CID 5721263
3-(4-Chlorophenyl)-1-(3-pyridinyl)-2-propen-1-one
CID 5997879
2-(4-Pyridinyl)benzaldehyde
CID 642850
6-Chloropyridine-3-carbaldehyde
CID 2764053
2-(Pyridin-3-Yl)Benzaldehyde
CID 3857593
(2E)-2-[(2-Chloropyridin-3-yl)methylidene]-2,3-dihydro-1Hinden-1-one (11e)
CID 122172778
(E)-1-(3-chlorophenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 40700815
Anti-infective agent 2
CID 162643643
1-(4-Chlorophenyl)-2-(pyridin-2-yl)ethan-1-one
CID 615549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde (CID 86223770) is 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde is Cc1ccccc1-c1ccnc(Cl)c1C=O.
What is the InChIKey of 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde?
The InChIKey is AMEOUAPJMORXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c1-9-4-2-3-5-10(9)11-6-7-15-13(14)12(11)8-16/h2-8H,1H3.
What are the key properties of 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde?
2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde has a molecular weight of 231.68 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 86223770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).