(2-methylphenyl) N-pyridin-2-ylcarbamate

C13H12N2O2 — CID 127542519

IUPAC(2-methylphenyl) N-pyridin-2-ylcarbamate
SMILESCc1ccccc1OC(=O)Nc1ccccn1
InChIInChI=1S/C13H12N2O2/c1-10-6-2-3-7-11(10)17-13(16)15-12-8-4-5-9-14-12/h2-9H,1H3,(H,14,15,16)
InChIKeyGMUDLMRHDSMMHP-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.00
Rot. Bonds2

About (2-methylphenyl) N-pyridin-2-ylcarbamate

(2-methylphenyl) N-pyridin-2-ylcarbamate (PubChem CID 127542519) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2-methylphenyl) N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Name(2-methylphenyl) N-pyridin-2-ylcarbamate
PubChem CID127542519
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(2-methylphenyl) N-pyridin-2-ylcarbamate
SMILESCc1ccccc1OC(=O)Nc1ccccn1
InChIInChI=1S/C13H12N2O2/c1-10-6-2-3-7-11(10)17-13(16)15-12-8-4-5-9-14-12/h2-9H,1H3,(H,14,15,16)
InChIKeyGMUDLMRHDSMMHP-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) N-pyridin-2-ylcarbamate?
The IUPAC name of (2-methylphenyl) N-pyridin-2-ylcarbamate (CID 127542519) is (2-methylphenyl) N-pyridin-2-ylcarbamate.
What is the SMILES notation for (2-methylphenyl) N-pyridin-2-ylcarbamate?
The canonical SMILES for (2-methylphenyl) N-pyridin-2-ylcarbamate is Cc1ccccc1OC(=O)Nc1ccccn1.
What is the InChIKey of (2-methylphenyl) N-pyridin-2-ylcarbamate?
The InChIKey is GMUDLMRHDSMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10-6-2-3-7-11(10)17-13(16)15-12-8-4-5-9-14-12/h2-9H,1H3,(H,14,15,16).
What are the key properties of (2-methylphenyl) N-pyridin-2-ylcarbamate?
(2-methylphenyl) N-pyridin-2-ylcarbamate has a molecular weight of 228.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) N-pyridin-2-ylcarbamate is sourced from PubChem (CID 127542519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).