2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

C12H12F2N2O — CID 105380282

IUPAC2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H12F2N2O/c1-3-7-16(8-4-2)12(17)9-5-6-15-11(14)10(9)13/h3-6H,1-2,7-8H2
InChIKeyNXLLOHLJMOELCA-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.17
Rot. Bonds5

About 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (PubChem CID 105380282) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
PubChem CID105380282
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H12F2N2O/c1-3-7-16(8-4-2)12(17)9-5-6-15-11(14)10(9)13/h3-6H,1-2,7-8H2
InChIKeyNXLLOHLJMOELCA-UHFFFAOYSA-N
XLogP2.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
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

N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
CID 105380891
N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
CID 105380283
2,3-difluoro-N-methyl-N-pent-4-enylpyridine-4-carboxamide
CID 105381622
3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 81443489
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
2-chloro-3-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 64857246
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 115775734
N-ethyl-2,3-difluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 105380509
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556
1-(2,3-difluoro-4-pyridinyl)-2,2,2-trifluoroethanone
CID 171367494

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (CID 105380282) is 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is C=CCN(CC=C)C(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The InChIKey is NXLLOHLJMOELCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-3-7-16(8-4-2)12(17)9-5-6-15-11(14)10(9)13/h3-6H,1-2,7-8H2.
What are the key properties of 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide has a molecular weight of 238.24 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 105380282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).