3-(5,6-dichloro-3-pyridinyl)prop-2-enamide

C8H6Cl2N2O — CID 169481566

IUPAC3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H6Cl2N2O/c9-6-3-5(1-2-7(11)13)4-12-8(6)10/h1-4H,(H2,11,13)
InChIKeyMHWGSXNGOMMKRY-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.89
Rot. Bonds2

About 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide

3-(5,6-dichloro-3-pyridinyl)prop-2-enamide (PubChem CID 169481566) has the molecular formula C8H6Cl2N2O and a molecular weight of 217.06 g/mol. Its IUPAC name is 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
PubChem CID169481566
Molecular FormulaC8H6Cl2N2O
Molecular Weight217.06 g/mol
Exact Mass215.99
IUPAC Name3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H6Cl2N2O/c9-6-3-5(1-2-7(11)13)4-12-8(6)10/h1-4H,(H2,11,13)
InChIKeyMHWGSXNGOMMKRY-UHFFFAOYSA-N
XLogP1.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.89
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'}

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Related Compounds

(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
CID 169463327
5,6-dichloropyridine-3-carbaldehyde
CID 11535654
(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enamide
CID 131243997
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
3-(3-amino-5-chlorophenyl)prop-2-enamide
CID 169481525
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
CID 170498876
3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enamide
CID 169481908
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865
3-(3,5-dichloro-4-pyridinyl)prop-2-enamide
CID 169481565
2-[5-(3-amino-3-oxoprop-1-enyl)-2-chlorophenyl]acetic acid
CID 169482209

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide (CID 169481566) is 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide is NC(=O)C=Cc1cnc(Cl)c(Cl)c1.
What is the InChIKey of 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide?
The InChIKey is MHWGSXNGOMMKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O/c9-6-3-5(1-2-7(11)13)4-12-8(6)10/h1-4H,(H2,11,13).
What are the key properties of 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide?
3-(5,6-dichloro-3-pyridinyl)prop-2-enamide has a molecular weight of 217.06 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 169481566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).