[3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid

C11H11F3N2O2 — CID 146571377

IUPAC[3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid
SMILESCc1c(C(F)(F)F)nc2c(c1NC(=O)O)CCC2
InChIInChI=1S/C11H11F3N2O2/c1-5-8(16-10(17)18)6-3-2-4-7(6)15-9(5)11(12,13)14/h2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyFTRVSIYTNOYDOU-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.99
Rot. Bonds1

About [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid

[3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid (PubChem CID 146571377) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid.

Molecular Properties

Compound Name[3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid
PubChem CID146571377
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name[3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid
SMILESCc1c(C(F)(F)F)nc2c(c1NC(=O)O)CCC2
InChIInChI=1S/C11H11F3N2O2/c1-5-8(16-10(17)18)6-3-2-4-7(6)15-9(5)11(12,13)14/h2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyFTRVSIYTNOYDOU-UHFFFAOYSA-N
XLogP2.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid?
The IUPAC name of [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid (CID 146571377) is [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid.
What is the SMILES notation for [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid?
The canonical SMILES for [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid is Cc1c(C(F)(F)F)nc2c(c1NC(=O)O)CCC2.
What is the InChIKey of [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid?
The InChIKey is FTRVSIYTNOYDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-5-8(16-10(17)18)6-3-2-4-7(6)15-9(5)11(12,13)14/h2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid?
[3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid has a molecular weight of 260.21 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]carbamic acid is sourced from PubChem (CID 146571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).