(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane

C12H14F2N2 — CID 129487690

IUPAC(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
SMILESC[C@@]12CCN(c3ccccn3)C[C@H]1C2(F)F
InChIInChI=1S/C12H14F2N2/c1-11-5-7-16(8-9(11)12(11,13)14)10-4-2-3-6-15-10/h2-4,6,9H,5,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyQRMCIJSYZKQQFU-MWLCHTKSSA-N
MW224.25 g/mol
LogP2.56
Rot. Bonds1

About (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane

(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 129487690) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID129487690
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
SMILESC[C@@]12CCN(c3ccccn3)C[C@H]1C2(F)F
InChIInChI=1S/C12H14F2N2/c1-11-5-7-16(8-9(11)12(11,13)14)10-4-2-3-6-15-10/h2-4,6,9H,5,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyQRMCIJSYZKQQFU-MWLCHTKSSA-N
XLogP2.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane with MolForge

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Related Compounds

6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
CID 175933768
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
4-amino-1-pyridin-2-ylpiperidine-4-carbonitrile
CID 170991125
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-one
CID 167926790
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane (CID 129487690) is (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane is C[C@@]12CCN(c3ccccn3)C[C@H]1C2(F)F.
What is the InChIKey of (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is QRMCIJSYZKQQFU-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-11-5-7-16(8-9(11)12(11,13)14)10-4-2-3-6-15-10/h2-4,6,9H,5,7-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane?
(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 224.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 129487690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).