3-[(E)-7-iodohept-6-enyl]pyridine

C12H16IN — CID 11833526

IUPAC3-[(E)-7-iodohept-6-enyl]pyridine
SMILESI/C=C/CCCCCc1cccnc1
InChIInChI=1S/C12H16IN/c13-9-5-3-1-2-4-7-12-8-6-10-14-11-12/h5-6,8-11H,1-4,7H2/b9-5+
InChIKeyYSLUGEDHOXLAMF-WEVVVXLNSA-N
MW301.17 g/mol
LogP4.13
Rot. Bonds6

About 3-[(E)-7-iodohept-6-enyl]pyridine

3-[(E)-7-iodohept-6-enyl]pyridine (PubChem CID 11833526) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-[(E)-7-iodohept-6-enyl]pyridine.

Molecular Properties

Compound Name3-[(E)-7-iodohept-6-enyl]pyridine
PubChem CID11833526
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC Name3-[(E)-7-iodohept-6-enyl]pyridine
SMILESI/C=C/CCCCCc1cccnc1
InChIInChI=1S/C12H16IN/c13-9-5-3-1-2-4-7-12-8-6-10-14-11-12/h5-6,8-11H,1-4,7H2/b9-5+
InChIKeyYSLUGEDHOXLAMF-WEVVVXLNSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
8-pyridin-3-yloctan-1-ol
CID 11830623
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
tert-butyl N-[(E)-12-pyridin-3-yldodec-3-enyl]carbamate
CID 11142934
3-(14-methylpentadecyl)pyridine
CID 19697272
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
(E)-N-methoxy-N-methyl-18-pyridin-3-yloctadec-11-en-13-yn-1-amine
CID 10452637
3-(5-methylhexyl)pyridine
CID 54316004

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-7-iodohept-6-enyl]pyridine?
The IUPAC name of 3-[(E)-7-iodohept-6-enyl]pyridine (CID 11833526) is 3-[(E)-7-iodohept-6-enyl]pyridine.
What is the SMILES notation for 3-[(E)-7-iodohept-6-enyl]pyridine?
The canonical SMILES for 3-[(E)-7-iodohept-6-enyl]pyridine is I/C=C/CCCCCc1cccnc1.
What is the InChIKey of 3-[(E)-7-iodohept-6-enyl]pyridine?
The InChIKey is YSLUGEDHOXLAMF-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H16IN/c13-9-5-3-1-2-4-7-12-8-6-10-14-11-12/h5-6,8-11H,1-4,7H2/b9-5+.
What are the key properties of 3-[(E)-7-iodohept-6-enyl]pyridine?
3-[(E)-7-iodohept-6-enyl]pyridine has a molecular weight of 301.17 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-7-iodohept-6-enyl]pyridine is sourced from PubChem (CID 11833526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).