[6-(2-methylphenyl)-3-pyridinyl] carbamate

C13H12N2O2 — CID 175536018

IUPAC[6-(2-methylphenyl)-3-pyridinyl] carbamate
SMILESCc1ccccc1-c1ccc(OC(N)=O)cn1
InChIInChI=1S/C13H12N2O2/c1-9-4-2-3-5-11(9)12-7-6-10(8-15-12)17-13(14)16/h2-8H,1H3,(H2,14,16)
InChIKeyHSWJQXDRQOWIQL-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.51
Rot. Bonds2

About [6-(2-methylphenyl)-3-pyridinyl] carbamate

[6-(2-methylphenyl)-3-pyridinyl] carbamate (PubChem CID 175536018) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is [6-(2-methylphenyl)-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(2-methylphenyl)-3-pyridinyl] carbamate
PubChem CID175536018
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name[6-(2-methylphenyl)-3-pyridinyl] carbamate
SMILESCc1ccccc1-c1ccc(OC(N)=O)cn1
InChIInChI=1S/C13H12N2O2/c1-9-4-2-3-5-11(9)12-7-6-10(8-15-12)17-13(14)16/h2-8H,1H3,(H2,14,16)
InChIKeyHSWJQXDRQOWIQL-UHFFFAOYSA-N
XLogP2.51
TPSA65.21 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-tert-butyl-3-pyridinyl) carbamate
CID 175536069
2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129095802
(6-formyl-3-pyridinyl) carbamate
CID 175352673
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid
CID 67243132
[6-(2-methyl-2-pyridin-2-ylpropanoyl)-3-pyridinyl] carbamate
CID 175276482
2-(2-methylphenyl)pyridine
CID 144596153
N-(2-chloro-6-methylphenyl)-6-(2-methylphenyl)pyridine-3-carboxamide
CID 58639460
3-(2-methylphenyl)pyridine-2-carboxamide
CID 174495640
[6-(2-methylsulfonylethyl)-3-pyridinyl] carbamate
CID 175000782
4-ethyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129021064
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
butane;pyridin-3-yl carbamate
CID 69137647

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylphenyl)-3-pyridinyl] carbamate?
The IUPAC name of [6-(2-methylphenyl)-3-pyridinyl] carbamate (CID 175536018) is [6-(2-methylphenyl)-3-pyridinyl] carbamate.
What is the SMILES notation for [6-(2-methylphenyl)-3-pyridinyl] carbamate?
The canonical SMILES for [6-(2-methylphenyl)-3-pyridinyl] carbamate is Cc1ccccc1-c1ccc(OC(N)=O)cn1.
What is the InChIKey of [6-(2-methylphenyl)-3-pyridinyl] carbamate?
The InChIKey is HSWJQXDRQOWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-4-2-3-5-11(9)12-7-6-10(8-15-12)17-13(14)16/h2-8H,1H3,(H2,14,16).
What are the key properties of [6-(2-methylphenyl)-3-pyridinyl] carbamate?
[6-(2-methylphenyl)-3-pyridinyl] carbamate has a molecular weight of 228.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylphenyl)-3-pyridinyl] carbamate is sourced from PubChem (CID 175536018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).