N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide

C9H7BrCl2N2O — CID 47439184

IUPACN-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
SMILESC=C(Br)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H7BrCl2N2O/c1-5(10)3-14-9(15)6-2-7(11)8(12)13-4-6/h2,4H,1,3H2,(H,14,15)
InChIKeyFMQUIAPOBNYUSI-UHFFFAOYSA-N
MW309.98 g/mol
LogP3.03
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide

N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 47439184) has the molecular formula C9H7BrCl2N2O and a molecular weight of 309.98 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
PubChem CID47439184
Molecular FormulaC9H7BrCl2N2O
Molecular Weight309.98 g/mol
Exact Mass307.91
IUPAC NameN-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
SMILESC=C(Br)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H7BrCl2N2O/c1-5(10)3-14-9(15)6-2-7(11)8(12)13-4-6/h2,4H,1,3H2,(H,14,15)
InChIKeyFMQUIAPOBNYUSI-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.98
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
CID 115627342
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746097
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80717032
N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide
CID 78986029
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide (CID 47439184) is N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide is C=C(Br)CNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is FMQUIAPOBNYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2N2O/c1-5(10)3-14-9(15)6-2-7(11)8(12)13-4-6/h2,4H,1,3H2,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide?
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide has a molecular weight of 309.98 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 47439184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).