5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine

C14H11ClN2S — CID 171659985

IUPAC5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine
SMILESCc1csc2c(-c3cc(N)ncc3Cl)cccc12
InChIInChI=1S/C14H11ClN2S/c1-8-7-18-14-9(8)3-2-4-10(14)11-5-13(16)17-6-12(11)15/h2-7H,1H3,(H2,16,17)
InChIKeyZVZYBMTZEOADFV-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.51
Rot. Bonds1

About 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine

5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine (PubChem CID 171659985) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine
PubChem CID171659985
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine
SMILESCc1csc2c(-c3cc(N)ncc3Cl)cccc12
InChIInChI=1S/C14H11ClN2S/c1-8-7-18-14-9(8)3-2-4-10(14)11-5-13(16)17-6-12(11)15/h2-7H,1H3,(H2,16,17)
InChIKeyZVZYBMTZEOADFV-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-5-chloro-4-pyridinyl)phenol
CID 139543768
4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine
CID 123953894
3-methyl-1-benzothiophen-7-amine
CID 12675888
5-chloro-4-phenylpyridin-2-amine
CID 53485508
3-methyl-7-thiophen-3-yl-1-benzothiophene
CID 23543483
5-chloro-4-(6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl)pyridin-2-amine
CID 171660091
7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
CID 23543580
2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473735
4-methyl-5-quinolin-5-ylpyridin-2-amine
CID 81224128
3-(5-chloro-2-methyl-4-pyridinyl)pyridin-2-amine
CID 143908292
4-methyl-5-(2-methylphenyl)pyridin-2-amine
CID 79729422
4-methyl-5-thiophen-2-ylpyridin-2-amine
CID 79730062

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine (CID 171659985) is 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine is Cc1csc2c(-c3cc(N)ncc3Cl)cccc12.
What is the InChIKey of 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine?
The InChIKey is ZVZYBMTZEOADFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c1-8-7-18-14-9(8)3-2-4-10(14)11-5-13(16)17-6-12(11)15/h2-7H,1H3,(H2,16,17).
What are the key properties of 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine?
5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine has a molecular weight of 274.78 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine is sourced from PubChem (CID 171659985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).