5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile

C13H10ClN3O — CID 103469705

IUPAC5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(Oc2ncc(C#N)cc2N)c(Cl)c1
InChIInChI=1S/C13H10ClN3O/c1-8-2-3-12(10(14)4-8)18-13-11(16)5-9(6-15)7-17-13/h2-5,7H,16H2,1H3
InChIKeyZDZJIIHJHSQEOC-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.29
Rot. Bonds2

About 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile

5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile (PubChem CID 103469705) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
PubChem CID103469705
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
SMILESCc1ccc(Oc2ncc(C#N)cc2N)c(Cl)c1
InChIInChI=1S/C13H10ClN3O/c1-8-2-3-12(10(14)4-8)18-13-11(16)5-9(6-15)7-17-13/h2-5,7H,16H2,1H3
InChIKeyZDZJIIHJHSQEOC-UHFFFAOYSA-N
XLogP3.29
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506
5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
5-amino-6-(2-tert-butylphenoxy)pyridine-3-carbonitrile
CID 68530043
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
5-bromo-2-(2,4-dichlorophenoxy)pyridin-3-amine
CID 61228293
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
2-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile (CID 103469705) is 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile is Cc1ccc(Oc2ncc(C#N)cc2N)c(Cl)c1.
What is the InChIKey of 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile?
The InChIKey is ZDZJIIHJHSQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-8-2-3-12(10(14)4-8)18-13-11(16)5-9(6-15)7-17-13/h2-5,7H,16H2,1H3.
What are the key properties of 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile?
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile has a molecular weight of 259.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 103469705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).