2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C14H15F3N2O2 — CID 62701161

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N(CC(F)(F)F)C1CC1)CCC2
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)7-19(9-4-5-9)12-10(13(20)21)6-8-2-1-3-11(8)18-12/h6,9H,1-5,7H2,(H,20,21)
InChIKeyRSSFCTWTPAQZJP-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.80
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62701161) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62701161
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N(CC(F)(F)F)C1CC1)CCC2
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)7-19(9-4-5-9)12-10(13(20)21)6-8-2-1-3-11(8)18-12/h6,9H,1-5,7H2,(H,20,21)
InChIKeyRSSFCTWTPAQZJP-UHFFFAOYSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62701161) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1N(CC(F)(F)F)C1CC1)CCC2.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is RSSFCTWTPAQZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)7-19(9-4-5-9)12-10(13(20)21)6-8-2-1-3-11(8)18-12/h6,9H,1-5,7H2,(H,20,21).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 300.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62701161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).