4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine

C9H12FN — CID 175893083

IUPAC4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine
SMILESCN1CC=C(F)C2=C1CCC2
InChIInChI=1S/C9H12FN/c1-11-6-5-8(10)7-3-2-4-9(7)11/h5H,2-4,6H2,1H3
InChIKeyPZQSGUCNASEIAV-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.22
Rot. Bonds

About 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine

4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine (PubChem CID 175893083) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine
PubChem CID175893083
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine
SMILESCN1CC=C(F)C2=C1CCC2
InChIInChI=1S/C9H12FN/c1-11-6-5-8(10)7-3-2-4-9(7)11/h5H,2-4,6H2,1H3
InChIKeyPZQSGUCNASEIAV-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine?
The IUPAC name of 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine (CID 175893083) is 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine.
What is the SMILES notation for 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine?
The canonical SMILES for 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine is CN1CC=C(F)C2=C1CCC2.
What is the InChIKey of 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine?
The InChIKey is PZQSGUCNASEIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-11-6-5-8(10)7-3-2-4-9(7)11/h5H,2-4,6H2,1H3.
What are the key properties of 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine?
4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine has a molecular weight of 153.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine is sourced from PubChem (CID 175893083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).