(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine

C10H9BrN2S — CID 130873902

IUPAC(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine
SMILESN[C@@H](c1cccc(Br)n1)c1cccs1
InChIInChI=1S/C10H9BrN2S/c11-9-5-1-3-7(13-9)10(12)8-4-2-6-14-8/h1-6,10H,12H2/t10-/m0/s1
InChIKeyUCSMQPGOJCRQGW-JTQLQIEISA-N
MW269.17 g/mol
LogP2.95
Rot. Bonds2

About (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine

(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine (PubChem CID 130873902) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine
PubChem CID130873902
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine
SMILESN[C@@H](c1cccc(Br)n1)c1cccs1
InChIInChI=1S/C10H9BrN2S/c11-9-5-1-3-7(13-9)10(12)8-4-2-6-14-8/h1-6,10H,12H2/t10-/m0/s1
InChIKeyUCSMQPGOJCRQGW-JTQLQIEISA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.95
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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Related Compounds

dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
1-[(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289046
6-bromo-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 63961100
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
pyrimidin-4-yl(thiophen-2-yl)methanamine
CID 63989567
(6-methylpyridazin-3-yl)-thiophen-2-ylmethanamine
CID 131057763
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(1R,2S)-1-(6-bromo-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 131122744
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
(5-bromo-1,3-benzothiazol-2-yl)-thiophen-2-ylmethanamine
CID 115284850

Frequently Asked Questions

What is the IUPAC name of (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine?
The IUPAC name of (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine (CID 130873902) is (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine is N[C@@H](c1cccc(Br)n1)c1cccs1.
What is the InChIKey of (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine?
The InChIKey is UCSMQPGOJCRQGW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-9-5-1-3-7(13-9)10(12)8-4-2-6-14-8/h1-6,10H,12H2/t10-/m0/s1.
What are the key properties of (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine?
(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine has a molecular weight of 269.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 130873902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).