(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C13H13FINO — CID 106314285

IUPAC(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C13H13FINO/c1-9-3-2-6-16(8-9)13(17)11-5-4-10(14)7-12(11)15/h3-5,7H,2,6,8H2,1H3
InChIKeyKYNVHMPBEPDFBI-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.22
Rot. Bonds1

About (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106314285) has the molecular formula C13H13FINO and a molecular weight of 345.16 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106314285
Molecular FormulaC13H13FINO
Molecular Weight345.16 g/mol
Exact Mass345.00
IUPAC Name(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C13H13FINO/c1-9-3-2-6-16(8-9)13(17)11-5-4-10(14)7-12(11)15/h3-5,7H,2,6,8H2,1H3
InChIKeyKYNVHMPBEPDFBI-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-fluoro-2-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313557
(2-amino-4-fluorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313202
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 106316195
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
[3-(dimethylamino)azetidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 172646725
(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313560
(3-chloro-4-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314297
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148
(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103739958
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106314285) is (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)c2ccc(F)cc2I)C1.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is KYNVHMPBEPDFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FINO/c1-9-3-2-6-16(8-9)13(17)11-5-4-10(14)7-12(11)15/h3-5,7H,2,6,8H2,1H3.
What are the key properties of (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 345.16 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106314285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).