pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate

C13H10F2N2O2 — CID 134113794

IUPACpyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
SMILESO=C(Nc1cc(F)ccc1F)OCc1ccncc1
InChIInChI=1S/C13H10F2N2O2/c14-10-1-2-11(15)12(7-10)17-13(18)19-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18)
InChIKeyWVRWBNDMAWMGLC-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.11
Rot. Bonds3

About pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate

pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate (PubChem CID 134113794) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
PubChem CID134113794
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Namepyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
SMILESO=C(Nc1cc(F)ccc1F)OCc1ccncc1
InChIInChI=1S/C13H10F2N2O2/c14-10-1-2-11(15)12(7-10)17-13(18)19-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18)
InChIKeyWVRWBNDMAWMGLC-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716333
(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
CID 4643203
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
(5-chloro-2-pyridinyl) N-(2,5-difluorophenyl)carbamate
CID 134113793

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate?
The IUPAC name of pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate (CID 134113794) is pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate is O=C(Nc1cc(F)ccc1F)OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate?
The InChIKey is WVRWBNDMAWMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-10-1-2-11(15)12(7-10)17-13(18)19-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18).
What are the key properties of pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate?
pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate has a molecular weight of 264.23 g/mol, XLogP of 3.11, 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-(2,5-difluorophenyl)carbamate is sourced from PubChem (CID 134113794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).