3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile

C16H10ClN3S — CID 80525488

IUPAC3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccccc2Cl)c(-c2ccncc2)c1N
InChIInChI=1S/C16H10ClN3S/c17-12-4-2-1-3-11(12)16-14(10-5-7-20-8-6-10)15(19)13(9-18)21-16/h1-8H,19H2
InChIKeyLFWBKPHJSUKJHD-UHFFFAOYSA-N
MW311.80 g/mol
LogP4.58
Rot. Bonds2

About 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile

3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile (PubChem CID 80525488) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
PubChem CID80525488
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccccc2Cl)c(-c2ccncc2)c1N
InChIInChI=1S/C16H10ClN3S/c17-12-4-2-1-3-11(12)16-14(10-5-7-20-8-6-10)15(19)13(9-18)21-16/h1-8H,19H2
InChIKeyLFWBKPHJSUKJHD-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 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile (CID 80525488) is 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile is N#Cc1sc(-c2ccccc2Cl)c(-c2ccncc2)c1N.
What is the InChIKey of 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile?
The InChIKey is LFWBKPHJSUKJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/c17-12-4-2-1-3-11(12)16-14(10-5-7-20-8-6-10)15(19)13(9-18)21-16/h1-8H,19H2.
What are the key properties of 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile?
3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-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 3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile is sourced from PubChem (CID 80525488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).