5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine

C12H9BrCl2N2S — CID 114051953

IUPAC5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine
SMILESClc1cc2c(s1)CCC2Nc1cc(Br)cnc1Cl
InChIInChI=1S/C12H9BrCl2N2S/c13-6-3-9(12(15)16-5-6)17-8-1-2-10-7(8)4-11(14)18-10/h3-5,8,17H,1-2H2
InChIKeyXKBAJQLHIOJPST-UHFFFAOYSA-N
MW364.10 g/mol
LogP5.31
Rot. Bonds2

About 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine

5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine (PubChem CID 114051953) has the molecular formula C12H9BrCl2N2S and a molecular weight of 364.10 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine
PubChem CID114051953
Molecular FormulaC12H9BrCl2N2S
Molecular Weight364.10 g/mol
Exact Mass361.90
IUPAC Name5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine
SMILESClc1cc2c(s1)CCC2Nc1cc(Br)cnc1Cl
InChIInChI=1S/C12H9BrCl2N2S/c13-6-3-9(12(15)16-5-6)17-8-1-2-10-7(8)4-11(14)18-10/h3-5,8,17H,1-2H2
InChIKeyXKBAJQLHIOJPST-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.10
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine with MolForge

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251839
4-bromo-2-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 81251956
N-(3-bromo-2-methylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 107629950
2-chloro-N-(2,4-dibromo-5-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 103411527
2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252050
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251828
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
5-bromo-2-chloro-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
CID 114051935
2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252369
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine
CID 81234819

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine (CID 114051953) is 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine is Clc1cc2c(s1)CCC2Nc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine?
The InChIKey is XKBAJQLHIOJPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2S/c13-6-3-9(12(15)16-5-6)17-8-1-2-10-7(8)4-11(14)18-10/h3-5,8,17H,1-2H2.
What are the key properties of 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine?
5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine has a molecular weight of 364.10 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine is sourced from PubChem (CID 114051953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).