3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde

C14H12ClNO2 — CID 79267100

IUPAC3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
SMILESCc1cccc(COc2ccc(C=O)cc2Cl)n1
InChIInChI=1S/C14H12ClNO2/c1-10-3-2-4-12(16-10)9-18-14-6-5-11(8-17)7-13(14)15/h2-8H,9H2,1H3
InChIKeyWAXQCJDAEAJYER-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.43
Rot. Bonds4

About 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde

3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde (PubChem CID 79267100) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
PubChem CID79267100
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
SMILESCc1cccc(COc2ccc(C=O)cc2Cl)n1
InChIInChI=1S/C14H12ClNO2/c1-10-3-2-4-12(16-10)9-18-14-6-5-11(8-17)7-13(14)15/h2-8H,9H2,1H3
InChIKeyWAXQCJDAEAJYER-UHFFFAOYSA-N
XLogP3.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]benzaldehyde
CID 82865855
4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde
CID 155818963
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
3-[(2-chloro-4-formylphenoxy)methyl]benzoic acid
CID 883624
5-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82910183
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
3-chloro-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]benzaldehyde
CID 115619393
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
CID 18504624
3-chloro-4-(2-methylsulfanylethoxy)benzaldehyde
CID 115897536

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde (CID 79267100) is 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde is Cc1cccc(COc2ccc(C=O)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde?
The InChIKey is WAXQCJDAEAJYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-10-3-2-4-12(16-10)9-18-14-6-5-11(8-17)7-13(14)15/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde?
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde has a molecular weight of 261.71 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde is sourced from PubChem (CID 79267100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).