4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile

C13H11N3O2 — CID 16781104

IUPAC4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1ncccc1N
InChIInChI=1S/C13H11N3O2/c1-17-12-7-9(8-14)4-5-11(12)18-13-10(15)3-2-6-16-13/h2-7H,15H2,1H3
InChIKeySNFIYQOEMMFPDX-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.34
Rot. Bonds3

About 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile

4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile (PubChem CID 16781104) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
PubChem CID16781104
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1Oc1ncccc1N
InChIInChI=1S/C13H11N3O2/c1-17-12-7-9(8-14)4-5-11(12)18-13-10(15)3-2-6-16-13/h2-7H,15H2,1H3
InChIKeySNFIYQOEMMFPDX-UHFFFAOYSA-N
XLogP2.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)pyridine-3-sulfonamide
CID 115928413
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860
4-[(2-amino-3-pyridinyl)amino]-3-methoxybenzonitrile
CID 104847940
5-amino-6-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxamide
CID 114408412
4-(4-chloro-2-methoxyphenoxy)-3-(2-methoxy-3-pyridinyl)benzonitrile
CID 66666696
3-amino-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 61388483
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
2-(2,6-dimethoxyphenoxy)pyridin-3-amine
CID 16783505
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506
2-[(3-amino-2-pyridinyl)oxy]pyridin-3-amine
CID 71150824
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile (CID 16781104) is 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1Oc1ncccc1N.
What is the InChIKey of 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile?
The InChIKey is SNFIYQOEMMFPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-12-7-9(8-14)4-5-11(12)18-13-10(15)3-2-6-16-13/h2-7H,15H2,1H3.
What are the key properties of 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile?
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile has a molecular weight of 241.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile is sourced from PubChem (CID 16781104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).