3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine

C14H12N2O2 — CID 83919417

IUPAC3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine
SMILESCOc1cc(C)ccc1-c1ncccc1N=C=O
InChIInChI=1S/C14H12N2O2/c1-10-5-6-11(13(8-10)18-2)14-12(16-9-17)4-3-7-15-14/h3-8H,1-2H3
InChIKeyRBAFCYNXCYWHDJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.03
Rot. Bonds3

About 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine

3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine (PubChem CID 83919417) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine
PubChem CID83919417
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine
SMILESCOc1cc(C)ccc1-c1ncccc1N=C=O
InChIInChI=1S/C14H12N2O2/c1-10-5-6-11(13(8-10)18-2)14-12(16-9-17)4-3-7-15-14/h3-8H,1-2H3
InChIKeyRBAFCYNXCYWHDJ-UHFFFAOYSA-N
XLogP3.03
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

6-Methoxyquinoline
CID 14860
N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
CID 11210019
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11221120
6-Methoxy-4-methylquinoline
CID 258761
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
2-(2-(3-Methoxyphenyl)ethynyl)-5-methylpyridine
CID 16036762
6-(2,3-Dimethylphenoxy)pyridin-3-amine
CID 2800167
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
3-(2-methoxyphenyl)-N-3-pyridinylacrylamide
CID 895797
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(3-Methoxybenzylidene)anabaseine
CID 11637689

Frequently Asked Questions

What is the IUPAC name of 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine?
The IUPAC name of 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine (CID 83919417) is 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine.
What is the SMILES notation for 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine?
The canonical SMILES for 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine is COc1cc(C)ccc1-c1ncccc1N=C=O.
What is the InChIKey of 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine?
The InChIKey is RBAFCYNXCYWHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-5-6-11(13(8-10)18-2)14-12(16-9-17)4-3-7-15-14/h3-8H,1-2H3.
What are the key properties of 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine?
3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine has a molecular weight of 240.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanato-2-(2-methoxy-4-methylphenyl)pyridine is sourced from PubChem (CID 83919417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).