2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine

C15H13ClN2S2 — CID 43782525

IUPAC2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
SMILESClc1ncccc1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H13ClN2S2/c16-15-12(5-1-7-17-15)18-13(14-6-3-9-20-14)10-11-4-2-8-19-11/h1-9,13,18H,10H2
InChIKeyGOJMHTUCVZOFRW-UHFFFAOYSA-N
MW320.87 g/mol
LogP5.25
Rot. Bonds5

About 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine

2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine (PubChem CID 43782525) has the molecular formula C15H13ClN2S2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
PubChem CID43782525
Molecular FormulaC15H13ClN2S2
Molecular Weight320.87 g/mol
Exact Mass320.02
IUPAC Name2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
SMILESClc1ncccc1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C15H13ClN2S2/c16-15-12(5-1-7-17-15)18-13(14-6-3-9-20-14)10-11-4-2-8-19-11/h1-9,13,18H,10H2
InChIKeyGOJMHTUCVZOFRW-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 83167757
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
CID 43762685
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648576
N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
CID 43776937
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 43769483
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 83296628
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115604829
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine (CID 43782525) is 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine is Clc1ncccc1NC(Cc1cccs1)c1cccs1.
What is the InChIKey of 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
The InChIKey is GOJMHTUCVZOFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S2/c16-15-12(5-1-7-17-15)18-13(14-6-3-9-20-14)10-11-4-2-8-19-11/h1-9,13,18H,10H2.
What are the key properties of 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine?
2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine has a molecular weight of 320.87 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine is sourced from PubChem (CID 43782525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).