2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

C17H12Cl2N4 — CID 3339409

IUPAC2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc[nH]1
InChIInChI=1S/C17H12Cl2N4/c1-9-15(14-3-2-6-22-14)12(8-20)17(21)23-16(9)11-5-4-10(18)7-13(11)19/h2-7,22H,1H3,(H2,21,23)
InChIKeyXZDAFYCKHCWVBX-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.81
Rot. Bonds2

About 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 3339409) has the molecular formula C17H12Cl2N4 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID3339409
Molecular FormulaC17H12Cl2N4
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc[nH]1
InChIInChI=1S/C17H12Cl2N4/c1-9-15(14-3-2-6-22-14)12(8-20)17(21)23-16(9)11-5-4-10(18)7-13(11)19/h2-7,22H,1H3,(H2,21,23)
InChIKeyXZDAFYCKHCWVBX-UHFFFAOYSA-N
XLogP4.81
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 3339409) is 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccc[nH]1.
What is the InChIKey of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is XZDAFYCKHCWVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4/c1-9-15(14-3-2-6-22-14)12(8-20)17(21)23-16(9)11-5-4-10(18)7-13(11)19/h2-7,22H,1H3,(H2,21,23).
What are the key properties of 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 343.22 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3339409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).