[4-(4-chloro-2-pyridinyl)phenyl] carbamate

C12H9ClN2O2 — CID 175565637

IUPAC[4-(4-chloro-2-pyridinyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2cc(Cl)ccn2)cc1
InChIInChI=1S/C12H9ClN2O2/c13-9-5-6-15-11(7-9)8-1-3-10(4-2-8)17-12(14)16/h1-7H,(H2,14,16)
InChIKeyWOPVDKFULNNARA-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.86
Rot. Bonds2

About [4-(4-chloro-2-pyridinyl)phenyl] carbamate

[4-(4-chloro-2-pyridinyl)phenyl] carbamate (PubChem CID 175565637) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is [4-(4-chloro-2-pyridinyl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(4-chloro-2-pyridinyl)phenyl] carbamate
PubChem CID175565637
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name[4-(4-chloro-2-pyridinyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2cc(Cl)ccn2)cc1
InChIInChI=1S/C12H9ClN2O2/c13-9-5-6-15-11(7-9)8-1-3-10(4-2-8)17-12(14)16/h1-7H,(H2,14,16)
InChIKeyWOPVDKFULNNARA-UHFFFAOYSA-N
XLogP2.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-pyridinyl)phenyl] carbamate?
The IUPAC name of [4-(4-chloro-2-pyridinyl)phenyl] carbamate (CID 175565637) is [4-(4-chloro-2-pyridinyl)phenyl] carbamate.
What is the SMILES notation for [4-(4-chloro-2-pyridinyl)phenyl] carbamate?
The canonical SMILES for [4-(4-chloro-2-pyridinyl)phenyl] carbamate is NC(=O)Oc1ccc(-c2cc(Cl)ccn2)cc1.
What is the InChIKey of [4-(4-chloro-2-pyridinyl)phenyl] carbamate?
The InChIKey is WOPVDKFULNNARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-9-5-6-15-11(7-9)8-1-3-10(4-2-8)17-12(14)16/h1-7H,(H2,14,16).
What are the key properties of [4-(4-chloro-2-pyridinyl)phenyl] carbamate?
[4-(4-chloro-2-pyridinyl)phenyl] carbamate has a molecular weight of 248.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-pyridinyl)phenyl] carbamate is sourced from PubChem (CID 175565637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).