phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate

C15H13ClN2O2 — CID 155202112

IUPACphenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate
SMILESO=C(Nc1cnc(C2CC2)c(Cl)c1)Oc1ccccc1
InChIInChI=1S/C15H13ClN2O2/c16-13-8-11(9-17-14(13)10-6-7-10)18-15(19)20-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyMHAKGZSPDLWSEC-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.22
Rot. Bonds3

About phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate

phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate (PubChem CID 155202112) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate
PubChem CID155202112
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Namephenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate
SMILESO=C(Nc1cnc(C2CC2)c(Cl)c1)Oc1ccccc1
InChIInChI=1S/C15H13ClN2O2/c16-13-8-11(9-17-14(13)10-6-7-10)18-15(19)20-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,18,19)
InChIKeyMHAKGZSPDLWSEC-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate?
The IUPAC name of phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate (CID 155202112) is phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate is O=C(Nc1cnc(C2CC2)c(Cl)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate?
The InChIKey is MHAKGZSPDLWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-8-11(9-17-14(13)10-6-7-10)18-15(19)20-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,18,19).
What are the key properties of phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate?
phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate has a molecular weight of 288.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate is sourced from PubChem (CID 155202112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).