3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile

C13H10BrN3O — CID 82812987

IUPAC3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(Oc2nccc(C#N)c2N)c(Br)c1
InChIInChI=1S/C13H10BrN3O/c1-8-2-3-11(10(14)6-8)18-13-12(16)9(7-15)4-5-17-13/h2-6H,16H2,1H3
InChIKeyPWQOIUBPSAKLPC-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.40
Rot. Bonds2

About 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile

3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile (PubChem CID 82812987) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
PubChem CID82812987
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(Oc2nccc(C#N)c2N)c(Br)c1
InChIInChI=1S/C13H10BrN3O/c1-8-2-3-11(10(14)6-8)18-13-12(16)9(7-15)4-5-17-13/h2-6H,16H2,1H3
InChIKeyPWQOIUBPSAKLPC-UHFFFAOYSA-N
XLogP3.40
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenoxy)-3-nitropyridine-4-carbonitrile
CID 80718101
4-(2-bromo-4-methylphenoxy)-2-methylbenzonitrile
CID 81273096
3-bromo-4-(2-bromo-4-methylphenoxy)benzonitrile
CID 82798072
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 82795312
3-(2-amino-4-methylphenoxy)pyrazine-2-carbonitrile
CID 62673774
4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine
CID 103385294
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile (CID 82812987) is 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile is Cc1ccc(Oc2nccc(C#N)c2N)c(Br)c1.
What is the InChIKey of 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile?
The InChIKey is PWQOIUBPSAKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-8-2-3-11(10(14)6-8)18-13-12(16)9(7-15)4-5-17-13/h2-6H,16H2,1H3.
What are the key properties of 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile?
3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile has a molecular weight of 304.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 82812987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).