2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde

C12H8ClFN2O — CID 89304419

IUPAC2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde
SMILESCc1c(F)cncc1-c1cnc(Cl)cc1C=O
InChIInChI=1S/C12H8ClFN2O/c1-7-9(3-15-5-11(7)14)10-4-16-12(13)2-8(10)6-17/h2-6H,1H3
InChIKeyBZSHXDZAPLIISL-UHFFFAOYSA-N
MW250.66 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde

2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde (PubChem CID 89304419) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde
PubChem CID89304419
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde
SMILESCc1c(F)cncc1-c1cnc(Cl)cc1C=O
InChIInChI=1S/C12H8ClFN2O/c1-7-9(3-15-5-11(7)14)10-4-16-12(13)2-8(10)6-17/h2-6H,1H3
InChIKeyBZSHXDZAPLIISL-UHFFFAOYSA-N
XLogP3.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde (CID 89304419) is 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde is Cc1c(F)cncc1-c1cnc(Cl)cc1C=O.
What is the InChIKey of 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde?
The InChIKey is BZSHXDZAPLIISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c1-7-9(3-15-5-11(7)14)10-4-16-12(13)2-8(10)6-17/h2-6H,1H3.
What are the key properties of 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde?
2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde has a molecular weight of 250.66 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-fluoro-4-methyl-3-pyridinyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 89304419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).