6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile

C11H13N3O2 — CID 118036975

IUPAC6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)cc1OCC1CCCO1
InChIInChI=1S/C11H13N3O2/c12-5-8-6-14-11(13)4-10(8)16-7-9-2-1-3-15-9/h4,6,9H,1-3,7H2,(H2,13,14)
InChIKeyICISITHBUZLFRN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.09
Rot. Bonds3

About 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile

6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile (PubChem CID 118036975) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile
PubChem CID118036975
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)cc1OCC1CCCO1
InChIInChI=1S/C11H13N3O2/c12-5-8-6-14-11(13)4-10(8)16-7-9-2-1-3-15-9/h4,6,9H,1-3,7H2,(H2,13,14)
InChIKeyICISITHBUZLFRN-UHFFFAOYSA-N
XLogP1.09
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-(oxolan-2-ylmethoxy)benzonitrile
CID 104712496
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)benzonitrile
CID 43331128
5-[[(2R)-oxolan-2-yl]methoxy]pyridin-3-amine
CID 124569752
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
4-bromo-3-(oxolan-2-ylmethoxy)aniline
CID 103008573
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
6-amino-4-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
CID 118037497
3-ethoxy-4-(oxolan-2-ylmethoxy)benzonitrile
CID 60657015
5-bromo-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 61228294

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile (CID 118036975) is 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile is N#Cc1cnc(N)cc1OCC1CCCO1.
What is the InChIKey of 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile?
The InChIKey is ICISITHBUZLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-8-6-14-11(13)4-10(8)16-7-9-2-1-3-15-9/h4,6,9H,1-3,7H2,(H2,13,14).
What are the key properties of 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile?
6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 118036975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).