2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C17H16ClFN2 — CID 88598408

IUPAC2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESC=CCNc1cc(Cl)nc2c1CCC2c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2/c1-2-9-20-15-10-16(18)21-17-13(7-8-14(15)17)11-3-5-12(19)6-4-11/h2-6,10,13H,1,7-9H2,(H,20,21)
InChIKeyGJIMSQAUTISHEN-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 88598408) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID88598408
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESC=CCNc1cc(Cl)nc2c1CCC2c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2/c1-2-9-20-15-10-16(18)21-17-13(7-8-14(15)17)11-3-5-12(19)6-4-11/h2-6,10,13H,1,7-9H2,(H,20,21)
InChIKeyGJIMSQAUTISHEN-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 88598408) is 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is C=CCNc1cc(Cl)nc2c1CCC2c1ccc(F)cc1.
What is the InChIKey of 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is GJIMSQAUTISHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-2-9-20-15-10-16(18)21-17-13(7-8-14(15)17)11-3-5-12(19)6-4-11/h2-6,10,13H,1,7-9H2,(H,20,21).
What are the key properties of 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 302.78 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(4-fluorophenyl)-N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 88598408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).