2-(4-bromobut-1-enyl)pyridine-4-carbonitrile

C10H9BrN2 — CID 170497104

IUPAC2-(4-bromobut-1-enyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C=CCCBr)c1
InChIInChI=1S/C10H9BrN2/c11-5-2-1-3-10-7-9(8-12)4-6-13-10/h1,3-4,6-7H,2,5H2
InChIKeyCWUVRLOUBFGSLQ-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile

2-(4-bromobut-1-enyl)pyridine-4-carbonitrile (PubChem CID 170497104) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-bromobut-1-enyl)pyridine-4-carbonitrile
PubChem CID170497104
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name2-(4-bromobut-1-enyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C=CCCBr)c1
InChIInChI=1S/C10H9BrN2/c11-5-2-1-3-10-7-9(8-12)4-6-13-10/h1,3-4,6-7H,2,5H2
InChIKeyCWUVRLOUBFGSLQ-UHFFFAOYSA-N
XLogP2.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-4-aminobut-1-enyl]pyridine-4-carbonitrile
CID 130421315
4-(4-bromobut-1-enyl)pyrimidin-2-amine
CID 170496985
methyl 4-(4-cyano-2-pyridinyl)but-3-enoate
CID 170500535
4-methyl-2-[(E)-pent-1-enyl]pyridine
CID 59772955
4-(4-formyl-2-pyridinyl)but-3-enenitrile
CID 170799437
2-(trimethylsilyloxyiminomethyl)pyridine-4-carbonitrile
CID 140887477
3-[(E)-2-pyridin-2-ylethenyl]benzonitrile
CID 18763276
4-amino-2-(4-bromobut-1-enyl)benzonitrile
CID 170497406
2-methylpyridine-4-carbonitrile
CID 118703758
2-(difluoromethyl)pyridine-4-carbonitrile
CID 75406284
4-(4-bromobut-1-enyl)-2-methoxybenzonitrile
CID 170497897
4-bromo-2-[(E)-4-methoxybut-1-enyl]pyridine
CID 23149476

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile (CID 170497104) is 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile is N#Cc1ccnc(C=CCCBr)c1.
What is the InChIKey of 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile?
The InChIKey is CWUVRLOUBFGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-5-2-1-3-10-7-9(8-12)4-6-13-10/h1,3-4,6-7H,2,5H2.
What are the key properties of 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile?
2-(4-bromobut-1-enyl)pyridine-4-carbonitrile has a molecular weight of 237.10 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobut-1-enyl)pyridine-4-carbonitrile is sourced from PubChem (CID 170497104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).