(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide

C8H7ClN2O — CID 55267916

IUPAC(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(Cl)nc1
InChIInChI=1S/C8H7ClN2O/c9-7-3-1-6(5-11-7)2-4-8(10)12/h1-5H,(H2,10,12)/b4-2-
InChIKeyMKNWBUJZPNMCSR-RQOWECAXSA-N
MW182.61 g/mol
LogP1.23
Rot. Bonds2

About (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide

(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide (PubChem CID 55267916) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
PubChem CID55267916
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(Cl)nc1
InChIInChI=1S/C8H7ClN2O/c9-7-3-1-6(5-11-7)2-4-8(10)12/h1-5H,(H2,10,12)/b4-2-
InChIKeyMKNWBUJZPNMCSR-RQOWECAXSA-N
XLogP1.23
TPSA55.98 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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
CID 87138561
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
tert-butyl 3-(6-chloro-3-pyridinyl)prop-2-enoate
CID 91411013
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(Z)-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 55267756
3-(6-cyano-3-pyridinyl)prop-2-enamide
CID 169481486
3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
CID 169481566
(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
CID 10725825
2-chloro-5-[(E)-prop-1-enyl]pyridine
CID 56977601
(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide
CID 170876950
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enamide
CID 169481959

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide?
The IUPAC name of (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide (CID 55267916) is (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide is NC(=O)/C=C\c1ccc(Cl)nc1.
What is the InChIKey of (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide?
The InChIKey is MKNWBUJZPNMCSR-RQOWECAXSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-7-3-1-6(5-11-7)2-4-8(10)12/h1-5H,(H2,10,12)/b4-2-.
What are the key properties of (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide?
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide has a molecular weight of 182.61 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 55267916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).