5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile

C11H12FN3O — CID 67016705

IUPAC5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1ncc(F)cc1NC1CCOCC1
InChIInChI=1S/C11H12FN3O/c12-8-5-10(11(6-13)14-7-8)15-9-1-3-16-4-2-9/h5,7,9,15H,1-4H2
InChIKeyUPLPTEQMBNUEOV-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.68
Rot. Bonds2

About 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile

5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile (PubChem CID 67016705) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile
PubChem CID67016705
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1ncc(F)cc1NC1CCOCC1
InChIInChI=1S/C11H12FN3O/c12-8-5-10(11(6-13)14-7-8)15-9-1-3-16-4-2-9/h5,7,9,15H,1-4H2
InChIKeyUPLPTEQMBNUEOV-UHFFFAOYSA-N
XLogP1.68
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
N-(2,5-difluorophenyl)oxepan-4-amine
CID 65076714
4-methyl-2-(oxan-4-ylamino)benzonitrile
CID 62309333
4-bromo-3-chloro-2-fluoro-6-(oxan-4-ylamino)benzonitrile
CID 155716146
CID 145224151
CID 145224151
4-(oxan-4-ylamino)benzonitrile
CID 43608433
4-(oxan-4-ylamino)pyridine-2-carbonitrile
CID 62924649
2-fluoro-5-(oxepan-4-ylamino)benzonitrile
CID 65079147
4-N-(2-bromo-5-fluoro-3-pyridinyl)-1-N-methylcyclohexane-1,4-diamine
CID 145414448
5-chloro-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 79728129
[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]boronic acid
CID 140760770
N-(2-fluorophenyl)oxan-4-amine
CID 43608428

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile (CID 67016705) is 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile is N#Cc1ncc(F)cc1NC1CCOCC1.
What is the InChIKey of 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile?
The InChIKey is UPLPTEQMBNUEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-8-5-10(11(6-13)14-7-8)15-9-1-3-16-4-2-9/h5,7,9,15H,1-4H2.
What are the key properties of 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile?
5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile has a molecular weight of 221.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(oxan-4-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 67016705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).