N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine

C14H11ClN2S — CID 62699234

IUPACN-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine
SMILESClc1ncccc1NCc1csc2ccccc12
InChIInChI=1S/C14H11ClN2S/c15-14-12(5-3-7-16-14)17-8-10-9-18-13-6-2-1-4-11(10)13/h1-7,9,17H,8H2
InChIKeyHVCSASVPBFVSBH-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.56
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine

N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine (PubChem CID 62699234) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine
PubChem CID62699234
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine
SMILESClc1ncccc1NCc1csc2ccccc12
InChIInChI=1S/C14H11ClN2S/c15-14-12(5-3-7-16-14)17-8-10-9-18-13-6-2-1-4-11(10)13/h1-7,9,17H,8H2
InChIKeyHVCSASVPBFVSBH-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.56
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 N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine (CID 62699234) is N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine is Clc1ncccc1NCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine?
The InChIKey is HVCSASVPBFVSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-14-12(5-3-7-16-14)17-8-10-9-18-13-6-2-1-4-11(10)13/h1-7,9,17H,8H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine?
N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine has a molecular weight of 274.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-chloropyridin-3-amine is sourced from PubChem (CID 62699234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).