2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile

C12H8ClN3O — CID 107061078

IUPAC2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccccc2N)c1Cl
InChIInChI=1S/C12H8ClN3O/c13-11-8(7-14)5-6-16-12(11)17-10-4-2-1-3-9(10)15/h1-6H,15H2
InChIKeyXGONGMKZQPFFMN-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.98
Rot. Bonds2

About 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile

2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile (PubChem CID 107061078) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
PubChem CID107061078
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2ccccc2N)c1Cl
InChIInChI=1S/C12H8ClN3O/c13-11-8(7-14)5-6-16-12(11)17-10-4-2-1-3-9(10)15/h1-6H,15H2
InChIKeyXGONGMKZQPFFMN-UHFFFAOYSA-N
XLogP2.98
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
CID 107061103
2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058864
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107061102
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
3-chloro-2-(furan-2-ylmethoxy)pyridine-4-carbonitrile
CID 107058734

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile (CID 107061078) is 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(Oc2ccccc2N)c1Cl.
What is the InChIKey of 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile?
The InChIKey is XGONGMKZQPFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-11-8(7-14)5-6-16-12(11)17-10-4-2-1-3-9(10)15/h1-6H,15H2.
What are the key properties of 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile?
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile has a molecular weight of 245.67 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).