5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile

C11H7ClN2S — CID 107615735

IUPAC5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(N)cc2Cl)s1
InChIInChI=1S/C11H7ClN2S/c12-10-5-7(14)1-3-9(10)11-4-2-8(6-13)15-11/h1-5H,14H2
InChIKeyXQTVNYRTIHHLLL-UHFFFAOYSA-N
MW234.71 g/mol
LogP3.52
Rot. Bonds1

About 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile

5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile (PubChem CID 107615735) has the molecular formula C11H7ClN2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile
PubChem CID107615735
Molecular FormulaC11H7ClN2S
Molecular Weight234.71 g/mol
Exact Mass234.00
IUPAC Name5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(N)cc2Cl)s1
InChIInChI=1S/C11H7ClN2S/c12-10-5-7(14)1-3-9(10)11-4-2-8(6-13)15-11/h1-5H,14H2
InChIKeyXQTVNYRTIHHLLL-UHFFFAOYSA-N
XLogP3.52
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
4-(4-bromothiophen-2-yl)-3-chloroaniline
CID 154666152
4-amino-2-chlorobenzonitrile;ethane
CID 144555120
2-chloro-5-(5-cyanothiophen-2-yl)benzoic acid
CID 62065584
5-amino-2-(2,5-dichlorothiophen-3-yl)benzonitrile
CID 61319855
4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 175711715
5-(5-cyanothiophen-3-yl)thiophene-2-carbonitrile
CID 171537965
5-(4-methoxy-2,5-dimethylphenyl)thiophene-2-carbonitrile
CID 82085172
5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
CID 11097092
3-chloro-4-phenylaniline;hydrochloride
CID 91622859
3,4-dichloroaniline
CID 7257
5-[2-(ethylaminomethyl)-4-fluorophenyl]thiophene-2-carbonitrile
CID 114077912

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile (CID 107615735) is 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile is N#Cc1ccc(-c2ccc(N)cc2Cl)s1.
What is the InChIKey of 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile?
The InChIKey is XQTVNYRTIHHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2S/c12-10-5-7(14)1-3-9(10)11-4-2-8(6-13)15-11/h1-5H,14H2.
What are the key properties of 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile?
5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile has a molecular weight of 234.71 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-chlorophenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 107615735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).