8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine

C11H12FN — CID 143497496

IUPAC8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine
SMILESCN1CCC2=C(C=C(F)C=C=C2)C1
InChIInChI=1S/C11H12FN/c1-13-6-5-9-3-2-4-11(12)7-10(9)8-13/h3-4,7H,5-6,8H2,1H3
InChIKeyDXVAUGNHQBSVMY-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.20
Rot. Bonds

About 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine

8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine (PubChem CID 143497496) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine
PubChem CID143497496
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine
SMILESCN1CCC2=C(C=C(F)C=C=C2)C1
InChIInChI=1S/C11H12FN/c1-13-6-5-9-3-2-4-11(12)7-10(9)8-13/h3-4,7H,5-6,8H2,1H3
InChIKeyDXVAUGNHQBSVMY-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine?
The IUPAC name of 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine (CID 143497496) is 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine.
What is the SMILES notation for 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine?
The canonical SMILES for 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine is CN1CCC2=C(C=C(F)C=C=C2)C1.
What is the InChIKey of 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine?
The InChIKey is DXVAUGNHQBSVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-13-6-5-9-3-2-4-11(12)7-10(9)8-13/h3-4,7H,5-6,8H2,1H3.
What are the key properties of 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine?
8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine has a molecular weight of 177.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-3,4-dihydro-1H-cyclohepta[c]pyridine is sourced from PubChem (CID 143497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).