3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde

C14H11ClFNO2 — CID 78929205

IUPAC3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2ccc(F)cc2Cl)c(C=O)n1
InChIInChI=1S/C14H11ClFNO2/c1-9-2-5-14(13(7-18)17-9)19-8-10-3-4-11(16)6-12(10)15/h2-7H,8H2,1H3
InChIKeyFUCPCCHVEFGAHN-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.57
Rot. Bonds4

About 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde

3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde (PubChem CID 78929205) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
PubChem CID78929205
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2ccc(F)cc2Cl)c(C=O)n1
InChIInChI=1S/C14H11ClFNO2/c1-9-2-5-14(13(7-18)17-9)19-8-10-3-4-11(16)6-12(10)15/h2-7H,8H2,1H3
InChIKeyFUCPCCHVEFGAHN-UHFFFAOYSA-N
XLogP3.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine
CID 134064787
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515
3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 62197636
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
7-[(2-chloro-4-fluorophenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 2244077
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde (CID 78929205) is 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde is Cc1ccc(OCc2ccc(F)cc2Cl)c(C=O)n1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The InChIKey is FUCPCCHVEFGAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-9-2-5-14(13(7-18)17-9)19-8-10-3-4-11(16)6-12(10)15/h2-7H,8H2,1H3.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde has a molecular weight of 279.70 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 78929205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).