2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile

C14H13ClN4O — CID 107061103

IUPAC2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
SMILESCN(C)c1ccc(N)c(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C14H13ClN4O/c1-19(2)10-3-4-11(17)12(7-10)20-14-13(15)9(8-16)5-6-18-14/h3-7H,17H2,1-2H3
InChIKeyVCCXYDUBNLZBRL-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.05
Rot. Bonds3

About 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile

2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile (PubChem CID 107061103) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
PubChem CID107061103
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
SMILESCN(C)c1ccc(N)c(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C14H13ClN4O/c1-19(2)10-3-4-11(17)12(7-10)20-14-13(15)9(8-16)5-6-18-14/h3-7H,17H2,1-2H3
InChIKeyVCCXYDUBNLZBRL-UHFFFAOYSA-N
XLogP3.05
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine
CID 79589171
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
2-(4-amino-2-prop-2-enylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107061102
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
CID 107061466
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
2-[[2-amino-5-(dimethylamino)phenoxy]methyl]benzonitrile
CID 79589430
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile (CID 107061103) is 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile is CN(C)c1ccc(N)c(Oc2nccc(C#N)c2Cl)c1.
What is the InChIKey of 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile?
The InChIKey is VCCXYDUBNLZBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-19(2)10-3-4-11(17)12(7-10)20-14-13(15)9(8-16)5-6-18-14/h3-7H,17H2,1-2H3.
What are the key properties of 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile?
2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile has a molecular weight of 288.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).