3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C10H9F3INO — CID 146566764

IUPAC3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCn1c2c(c(C(F)(F)F)c(I)c1=O)CCC2
InChIInChI=1S/C10H9F3INO/c1-15-6-4-2-3-5(6)7(10(11,12)13)8(14)9(15)16/h2-4H2,1H3
InChIKeyQYTVGUUCBTUUSX-UHFFFAOYSA-N
MW343.09 g/mol
LogP2.50
Rot. Bonds

About 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 146566764) has the molecular formula C10H9F3INO and a molecular weight of 343.09 g/mol. Its IUPAC name is 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID146566764
Molecular FormulaC10H9F3INO
Molecular Weight343.09 g/mol
Exact Mass342.97
IUPAC Name3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCn1c2c(c(C(F)(F)F)c(I)c1=O)CCC2
InChIInChI=1S/C10H9F3INO/c1-15-6-4-2-3-5(6)7(10(11,12)13)8(14)9(15)16/h2-4H2,1H3
InChIKeyQYTVGUUCBTUUSX-UHFFFAOYSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 146566764) is 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is Cn1c2c(c(C(F)(F)F)c(I)c1=O)CCC2.
What is the InChIKey of 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is QYTVGUUCBTUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO/c1-15-6-4-2-3-5(6)7(10(11,12)13)8(14)9(15)16/h2-4H2,1H3.
What are the key properties of 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 343.09 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 146566764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).