2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile

C9H7BrClN3 — CID 106195561

IUPAC2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
SMILESC=C(Br)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C9H7BrClN3/c1-6(10)5-13-9-3-7(4-12)2-8(11)14-9/h2-3H,1,5H2,(H,13,14)
InChIKeyNGGSCCUGEZVMFQ-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile

2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile (PubChem CID 106195561) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
PubChem CID106195561
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
SMILESC=C(Br)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C9H7BrClN3/c1-6(10)5-13-9-3-7(4-12)2-8(11)14-9/h2-3H,1,5H2,(H,13,14)
InChIKeyNGGSCCUGEZVMFQ-UHFFFAOYSA-N
XLogP2.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile 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

2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-N-(2-bromoprop-2-enyl)-6-chloropyridine-2,4-diamine
CID 104924053
2-chloro-6-(3-methylbut-2-enylamino)pyridine-4-carbonitrile
CID 106197214
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601
2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
CID 164646266
2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 106196869
N-(2-bromoprop-2-enyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 106195614
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83076925
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 83076259
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile (CID 106195561) is 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile is C=C(Br)CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile?
The InChIKey is NGGSCCUGEZVMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c1-6(10)5-13-9-3-7(4-12)2-8(11)14-9/h2-3H,1,5H2,(H,13,14).
What are the key properties of 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile?
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile has a molecular weight of 272.53 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile is sourced from PubChem (CID 106195561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).