2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile

C20H16BrN3O2 — CID 5117523

IUPAC2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccccc3Br)nc(N)c2C#N)c1OC
InChIInChI=1S/C20H16BrN3O2/c1-25-18-9-5-7-12(19(18)26-2)14-10-17(24-20(23)15(14)11-22)13-6-3-4-8-16(13)21/h3-10H,1-2H3,(H2,23,24)
InChIKeyLMQYCAWKRQPGJM-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.65
Rot. Bonds4

About 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5117523) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID5117523
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccccc3Br)nc(N)c2C#N)c1OC
InChIInChI=1S/C20H16BrN3O2/c1-25-18-9-5-7-12(19(18)26-2)14-10-17(24-20(23)15(14)11-22)13-6-3-4-8-16(13)21/h3-10H,1-2H3,(H2,23,24)
InChIKeyLMQYCAWKRQPGJM-UHFFFAOYSA-N
XLogP4.65
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-amino-6-(2-bromophenyl)-4-(2,5-difluorophenyl)pyridine-3-carbonitrile
CID 5117882
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020
2-amino-6-(3-fluorophenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5118237
2-amino-6-(3-fluorophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5118716
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3517156
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile (CID 5117523) is 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3ccccc3Br)nc(N)c2C#N)c1OC.
What is the InChIKey of 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is LMQYCAWKRQPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c1-25-18-9-5-7-12(19(18)26-2)14-10-17(24-20(23)15(14)11-22)13-6-3-4-8-16(13)21/h3-10H,1-2H3,(H2,23,24).
What are the key properties of 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 410.27 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5117523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).