3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C10H12FN — CID 133063202

IUPAC3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESFc1cnc2c(c1)CCCCC2
InChIInChI=1S/C10H12FN/c11-9-6-8-4-2-1-3-5-10(8)12-7-9/h6-7H,1-5H2
InChIKeyMRNUZOLZPVVRTR-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.49
Rot. Bonds

About 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 133063202) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID133063202
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESFc1cnc2c(c1)CCCCC2
InChIInChI=1S/C10H12FN/c11-9-6-8-4-2-1-3-5-10(8)12-7-9/h6-7H,1-5H2
InChIKeyMRNUZOLZPVVRTR-UHFFFAOYSA-N
XLogP2.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 133063202) is 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is Fc1cnc2c(c1)CCCCC2.
What is the InChIKey of 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is MRNUZOLZPVVRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-9-6-8-4-2-1-3-5-10(8)12-7-9/h6-7H,1-5H2.
What are the key properties of 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 165.21 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 133063202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).