6-butyl-2-iodopyridine-3,4-dicarbonitrile

C11H10IN3 — CID 15370759

IUPAC6-butyl-2-iodopyridine-3,4-dicarbonitrile
SMILESCCCCc1cc(C#N)c(C#N)c(I)n1
InChIInChI=1S/C11H10IN3/c1-2-3-4-9-5-8(6-13)10(7-14)11(12)15-9/h5H,2-4H2,1H3
InChIKeyXJAPCWSJDOPKFK-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.77
Rot. Bonds3

About 6-butyl-2-iodopyridine-3,4-dicarbonitrile

6-butyl-2-iodopyridine-3,4-dicarbonitrile (PubChem CID 15370759) has the molecular formula C11H10IN3 and a molecular weight of 311.13 g/mol. Its IUPAC name is 6-butyl-2-iodopyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name6-butyl-2-iodopyridine-3,4-dicarbonitrile
PubChem CID15370759
Molecular FormulaC11H10IN3
Molecular Weight311.13 g/mol
Exact Mass310.99
IUPAC Name6-butyl-2-iodopyridine-3,4-dicarbonitrile
SMILESCCCCc1cc(C#N)c(C#N)c(I)n1
InChIInChI=1S/C11H10IN3/c1-2-3-4-9-5-8(6-13)10(7-14)11(12)15-9/h5H,2-4H2,1H3
InChIKeyXJAPCWSJDOPKFK-UHFFFAOYSA-N
XLogP2.77
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-6-phenylpyridine-3,4-dicarbonitrile
CID 45123386
2-amino-6-butylpyridine-3-carbonitrile
CID 82411114
4,5-dipentylbenzene-1,2-dicarbonitrile
CID 15878025
6-butyl-2-(3,3-dimethylbut-1-ynyl)pyridine-3-carbonitrile
CID 67994866
diiodovanadium;2,6-dimethyl-4-pentylbenzonitrile
CID 160582477
4,5-diheptylbenzene-1,2-dicarbonitrile
CID 10947312
2,6-dibutyl-N,N-dimethylpyridin-4-amine
CID 151473916
2-butyl-4,6-dihexylpyrimidine
CID 91010912
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2-butyl-4,6-didodecylpyrimidine
CID 91545608
4-N-(2-aminoethyl)-6-butyl-4-N-methylpyrimidine-2,4-diamine
CID 24992078
6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
CID 21388867

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-iodopyridine-3,4-dicarbonitrile?
The IUPAC name of 6-butyl-2-iodopyridine-3,4-dicarbonitrile (CID 15370759) is 6-butyl-2-iodopyridine-3,4-dicarbonitrile.
What is the SMILES notation for 6-butyl-2-iodopyridine-3,4-dicarbonitrile?
The canonical SMILES for 6-butyl-2-iodopyridine-3,4-dicarbonitrile is CCCCc1cc(C#N)c(C#N)c(I)n1.
What is the InChIKey of 6-butyl-2-iodopyridine-3,4-dicarbonitrile?
The InChIKey is XJAPCWSJDOPKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3/c1-2-3-4-9-5-8(6-13)10(7-14)11(12)15-9/h5H,2-4H2,1H3.
What are the key properties of 6-butyl-2-iodopyridine-3,4-dicarbonitrile?
6-butyl-2-iodopyridine-3,4-dicarbonitrile has a molecular weight of 311.13 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-iodopyridine-3,4-dicarbonitrile is sourced from PubChem (CID 15370759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).