N-(5-chloro-2-pyridinyl)prop-2-enamide

C8H7ClN2O — CID 43616360

IUPACN-(5-chloro-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H7ClN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h2-5H,1H2,(H,10,11,12)
InChIKeyZHIYIJWXHRRHKN-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.86
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)prop-2-enamide

N-(5-chloro-2-pyridinyl)prop-2-enamide (PubChem CID 43616360) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)prop-2-enamide
PubChem CID43616360
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC NameN-(5-chloro-2-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H7ClN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h2-5H,1H2,(H,10,11,12)
InChIKeyZHIYIJWXHRRHKN-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)prop-2-enamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)prop-2-enamide (CID 43616360) is N-(5-chloro-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)prop-2-enamide is C=CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)prop-2-enamide?
The InChIKey is ZHIYIJWXHRRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h2-5H,1H2,(H,10,11,12).
What are the key properties of N-(5-chloro-2-pyridinyl)prop-2-enamide?
N-(5-chloro-2-pyridinyl)prop-2-enamide has a molecular weight of 182.61 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 43616360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).