pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate

C13H11FN2O2 — CID 117059992

IUPACpyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OCc1ccncc1
InChIInChI=1S/C13H11FN2O2/c14-11-3-1-2-4-12(11)16-13(17)18-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyOQVCLSXDKAPAPL-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.97
Rot. Bonds3

About pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate

pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate (PubChem CID 117059992) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
PubChem CID117059992
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namepyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OCc1ccncc1
InChIInChI=1S/C13H11FN2O2/c14-11-3-1-2-4-12(11)16-13(17)18-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyOQVCLSXDKAPAPL-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
CID 134113794
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
N'-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947828
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate?
The IUPAC name of pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate (CID 117059992) is pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate?
The InChIKey is OQVCLSXDKAPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-3-1-2-4-12(11)16-13(17)18-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate?
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate has a molecular weight of 246.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 117059992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).