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

C21H18BrN3O3 — CID 5117892

IUPAC2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3Br)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C21H18BrN3O3/c1-26-18-9-8-12(19(27-2)20(18)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25)
InChIKeyZZIOSJTYQXHXKI-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.66
Rot. Bonds5

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

2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5117892) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID5117892
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3Br)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C21H18BrN3O3/c1-26-18-9-8-12(19(27-2)20(18)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25)
InChIKeyZZIOSJTYQXHXKI-UHFFFAOYSA-N
XLogP4.66
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3517156
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020
2-amino-6-(3-fluorophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5118716
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-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
CID 171339557
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 5229295
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (CID 5117892) is 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccccc3Br)nc(N)c2C#N)c(OC)c1OC.
What is the InChIKey of 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is ZZIOSJTYQXHXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-26-18-9-8-12(19(27-2)20(18)28-3)14-10-17(25-21(24)15(14)11-23)13-6-4-5-7-16(13)22/h4-10H,1-3H3,(H2,24,25).
What are the key properties of 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 440.30 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5117892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).