1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile

C11H13FN2O — CID 167975837

IUPAC1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile
SMILESCC1CC1(C#N)C(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H13FN2O/c1-8-5-11(8,7-13)10(15)14-4-2-3-9(12)6-14/h3,8H,2,4-6H2,1H3
InChIKeySVWXIBYVFQOUOP-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.62
Rot. Bonds1

About 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile

1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile (PubChem CID 167975837) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile
PubChem CID167975837
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile
SMILESCC1CC1(C#N)C(=O)N1CCC=C(F)C1
InChIInChI=1S/C11H13FN2O/c1-8-5-11(8,7-13)10(15)14-4-2-3-9(12)6-14/h3,8H,2,4-6H2,1H3
InChIKeySVWXIBYVFQOUOP-UHFFFAOYSA-N
XLogP1.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile (CID 167975837) is 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile is CC1CC1(C#N)C(=O)N1CCC=C(F)C1.
What is the InChIKey of 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile?
The InChIKey is SVWXIBYVFQOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8-5-11(8,7-13)10(15)14-4-2-3-9(12)6-14/h3,8H,2,4-6H2,1H3.
What are the key properties of 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile?
1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile has a molecular weight of 208.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 167975837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).