4-(2-chloro-4-pyridinyl)thiophen-2-amine

C9H7ClN2S — CID 59011212

IUPAC4-(2-chloro-4-pyridinyl)thiophen-2-amine
SMILESNc1cc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C9H7ClN2S/c10-8-3-6(1-2-12-8)7-4-9(11)13-5-7/h1-5H,11H2
InChIKeyDYVZFUFUMQFOTJ-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.05
Rot. Bonds1

About 4-(2-chloro-4-pyridinyl)thiophen-2-amine

4-(2-chloro-4-pyridinyl)thiophen-2-amine (PubChem CID 59011212) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)thiophen-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)thiophen-2-amine
PubChem CID59011212
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name4-(2-chloro-4-pyridinyl)thiophen-2-amine
SMILESNc1cc(-c2ccnc(Cl)c2)cs1
InChIInChI=1S/C9H7ClN2S/c10-8-3-6(1-2-12-8)7-4-9(11)13-5-7/h1-5H,11H2
InChIKeyDYVZFUFUMQFOTJ-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-pyridinyl)thiophen-2-amine?
The IUPAC name of 4-(2-chloro-4-pyridinyl)thiophen-2-amine (CID 59011212) is 4-(2-chloro-4-pyridinyl)thiophen-2-amine.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)thiophen-2-amine?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)thiophen-2-amine is Nc1cc(-c2ccnc(Cl)c2)cs1.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)thiophen-2-amine?
The InChIKey is DYVZFUFUMQFOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c10-8-3-6(1-2-12-8)7-4-9(11)13-5-7/h1-5H,11H2.
What are the key properties of 4-(2-chloro-4-pyridinyl)thiophen-2-amine?
4-(2-chloro-4-pyridinyl)thiophen-2-amine has a molecular weight of 210.69 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)thiophen-2-amine is sourced from PubChem (CID 59011212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).