3-(4-isocyanato-2-methoxyphenoxy)pyridine

C13H10N2O3 — CID 169354283

IUPAC3-(4-isocyanato-2-methoxyphenoxy)pyridine
SMILESCOc1cc(N=C=O)ccc1Oc1cccnc1
InChIInChI=1S/C13H10N2O3/c1-17-13-7-10(15-9-16)4-5-12(13)18-11-3-2-6-14-8-11/h2-8H,1H3
InChIKeyUWBNTWXBYXITNL-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-isocyanato-2-methoxyphenoxy)pyridine

3-(4-isocyanato-2-methoxyphenoxy)pyridine (PubChem CID 169354283) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(4-isocyanato-2-methoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-(4-isocyanato-2-methoxyphenoxy)pyridine
PubChem CID169354283
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-(4-isocyanato-2-methoxyphenoxy)pyridine
SMILESCOc1cc(N=C=O)ccc1Oc1cccnc1
InChIInChI=1S/C13H10N2O3/c1-17-13-7-10(15-9-16)4-5-12(13)18-11-3-2-6-14-8-11/h2-8H,1H3
InChIKeyUWBNTWXBYXITNL-UHFFFAOYSA-N
XLogP2.85
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-azido-2-methoxyphenoxy)pyridine
CID 152567738
4,5-dimethoxy-2-pyridin-3-yloxyaniline
CID 83008307
2-chloro-4-isocyanato-1-(4-methoxyphenoxy)benzene
CID 163961993
3-isocyanato-5-(3-methoxyphenyl)pyridine
CID 115035465
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
2,6-dipyridin-3-yloxyphenol
CID 139940524
5-isocyanato-1-(5-isocyanato-2,3-dimethoxyphenyl)-2,3-dimethoxybenzene;methane
CID 161030471
5-isocyanato-2-pyridin-3-ylpyridine
CID 83915829
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
N-(2-methyl-4-methylsulfonyl-5-pyridin-3-yloxyphenyl)methanimine
CID 151805326
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655

Frequently Asked Questions

What is the IUPAC name of 3-(4-isocyanato-2-methoxyphenoxy)pyridine?
The IUPAC name of 3-(4-isocyanato-2-methoxyphenoxy)pyridine (CID 169354283) is 3-(4-isocyanato-2-methoxyphenoxy)pyridine.
What is the SMILES notation for 3-(4-isocyanato-2-methoxyphenoxy)pyridine?
The canonical SMILES for 3-(4-isocyanato-2-methoxyphenoxy)pyridine is COc1cc(N=C=O)ccc1Oc1cccnc1.
What is the InChIKey of 3-(4-isocyanato-2-methoxyphenoxy)pyridine?
The InChIKey is UWBNTWXBYXITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-17-13-7-10(15-9-16)4-5-12(13)18-11-3-2-6-14-8-11/h2-8H,1H3.
What are the key properties of 3-(4-isocyanato-2-methoxyphenoxy)pyridine?
3-(4-isocyanato-2-methoxyphenoxy)pyridine has a molecular weight of 242.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-isocyanato-2-methoxyphenoxy)pyridine is sourced from PubChem (CID 169354283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).