6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine

C12H12IN — CID 163958726

IUPAC6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine
SMILESCC1C=C(c2ccccc2)C(I)=NC1
InChIInChI=1S/C12H12IN/c1-9-7-11(12(13)14-8-9)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeySFPXUNIXCDXHBO-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.55
Rot. Bonds1

About 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine

6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine (PubChem CID 163958726) has the molecular formula C12H12IN and a molecular weight of 297.14 g/mol. Its IUPAC name is 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine
PubChem CID163958726
Molecular FormulaC12H12IN
Molecular Weight297.14 g/mol
Exact Mass297.00
IUPAC Name6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine
SMILESCC1C=C(c2ccccc2)C(I)=NC1
InChIInChI=1S/C12H12IN/c1-9-7-11(12(13)14-8-9)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeySFPXUNIXCDXHBO-UHFFFAOYSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-phenyl-2,3-dihydropyridine
CID 142097039
3-methyl-6-phenylcyclohexa-1,5-dien-1-amine
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CID 173414108
1,1'-biphenyl;2-methyloxirane
CID 87315109
7-methyl-2-phenyl-6,7-dihydroquinoline
CID 70915042
2,2,3-trimethyl-5-phenyl-3H-oxasilole
CID 101442946
5-methyl-1,3-diphenylcyclohexa-1,3-diene
CID 154531936
(3,5-dimethylcyclopenta-1,4-dien-1-yl)benzene;zirconium(3+);dichloride
CID 87777027
1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline
CID 174367478
benzene;1,1'-biphenyl;ethane
CID 158550617
4-bromo-3-methyl-5,5-diphenyl-4H-1,2-oxazole
CID 12637259
1,1-dimethyl-3-phenylsiletane
CID 11332797

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine?
The IUPAC name of 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine (CID 163958726) is 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine.
What is the SMILES notation for 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine?
The canonical SMILES for 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine is CC1C=C(c2ccccc2)C(I)=NC1.
What is the InChIKey of 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine?
The InChIKey is SFPXUNIXCDXHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN/c1-9-7-11(12(13)14-8-9)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3.
What are the key properties of 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine?
6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine has a molecular weight of 297.14 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methyl-5-phenyl-2,3-dihydropyridine is sourced from PubChem (CID 163958726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).