2-[(2-bromoanilino)methylidene]propanedinitrile

C10H6BrN3 — CID 17134938

IUPAC2-[(2-bromoanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccccc1Br
InChIInChI=1S/C10H6BrN3/c11-9-3-1-2-4-10(9)14-7-8(5-12)6-13/h1-4,7,14H
InChIKeyMTOJAMOBWKAJES-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.79
Rot. Bonds2

About 2-[(2-bromoanilino)methylidene]propanedinitrile

2-[(2-bromoanilino)methylidene]propanedinitrile (PubChem CID 17134938) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-[(2-bromoanilino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-bromoanilino)methylidene]propanedinitrile
PubChem CID17134938
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name2-[(2-bromoanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccccc1Br
InChIInChI=1S/C10H6BrN3/c11-9-3-1-2-4-10(9)14-7-8(5-12)6-13/h1-4,7,14H
InChIKeyMTOJAMOBWKAJES-UHFFFAOYSA-N
XLogP2.79
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromo-4-methylanilino)methylidene]propanedinitrile
CID 26485291
2-[(2-ethenylanilino)methylidene]propanedinitrile
CID 168542247
2-[[2-(cyclopropylmethylamino)anilino]methylidene]propanedinitrile
CID 168544399
2-[[2-bromo-6-(cyclopropylamino)anilino]methylidene]propanedinitrile
CID 168544466
(Z)-3-(2-bromoanilino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855375
2-bromo-3-(2,2-dicyanoethenylamino)benzoic acid
CID 168541783
2-[[2-(1-hydroxyethyl)anilino]methylidene]propanedinitrile
CID 168541764
2-[(4-acetyl-2-bromoanilino)methylidene]propanedinitrile
CID 168541634
2-[[2-(trifluoromethoxy)anilino]methylidene]propanedinitrile
CID 27296814
2-[[(8-bromoquinoxalin-5-yl)amino]methylidene]propanedinitrile
CID 168511884
2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile
CID 168541805
N-[2-bromo-4-(2,2-dicyanoethenylamino)phenyl]benzamide
CID 168543965

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoanilino)methylidene]propanedinitrile?
The IUPAC name of 2-[(2-bromoanilino)methylidene]propanedinitrile (CID 17134938) is 2-[(2-bromoanilino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-bromoanilino)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2-bromoanilino)methylidene]propanedinitrile is N#CC(C#N)=CNc1ccccc1Br.
What is the InChIKey of 2-[(2-bromoanilino)methylidene]propanedinitrile?
The InChIKey is MTOJAMOBWKAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-9-3-1-2-4-10(9)14-7-8(5-12)6-13/h1-4,7,14H.
What are the key properties of 2-[(2-bromoanilino)methylidene]propanedinitrile?
2-[(2-bromoanilino)methylidene]propanedinitrile has a molecular weight of 248.08 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoanilino)methylidene]propanedinitrile is sourced from PubChem (CID 17134938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).