2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile

C16H10ClN3S — CID 44817568

IUPAC2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccsc2)nc1N
InChIInChI=1S/C16H10ClN3S/c17-12-3-1-10(2-4-12)13-7-15(11-5-6-21-9-11)20-16(19)14(13)8-18/h1-7,9H,(H2,19,20)
InChIKeySPMUNRZBGWCOPD-UHFFFAOYSA-N
MW311.80 g/mol
LogP4.58
Rot. Bonds2

About 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile

2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile (PubChem CID 44817568) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
PubChem CID44817568
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccsc2)nc1N
InChIInChI=1S/C16H10ClN3S/c17-12-3-1-10(2-4-12)13-7-15(11-5-6-21-9-11)20-16(19)14(13)8-18/h1-7,9H,(H2,19,20)
InChIKeySPMUNRZBGWCOPD-UHFFFAOYSA-N
XLogP4.58
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile (CID 44817568) is 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccsc2)nc1N.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The InChIKey is SPMUNRZBGWCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c17-12-3-1-10(2-4-12)13-7-15(11-5-6-21-9-11)20-16(19)14(13)8-18/h1-7,9H,(H2,19,20).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile has a molecular weight of 311.80 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-thiophen-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 44817568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).