2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide

C9H8Cl2N2O — CID 114917190

IUPAC2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-2-3-12-9(14)6-4-8(11)13-5-7(6)10/h2,4-5H,1,3H2,(H,12,14)
InChIKeyFSAGTZKHILVHFA-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.30
Rot. Bonds3

About 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide

2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 114917190) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
PubChem CID114917190
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-2-3-12-9(14)6-4-8(11)13-5-7(6)10/h2,4-5H,1,3H2,(H,12,14)
InChIKeyFSAGTZKHILVHFA-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114918916
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 105056220

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide (CID 114917190) is 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide is C=CCNC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is FSAGTZKHILVHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-2-3-12-9(14)6-4-8(11)13-5-7(6)10/h2,4-5H,1,3H2,(H,12,14).
What are the key properties of 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide?
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 231.08 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 114917190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).