(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine

C10H9BrN2S — CID 171203449

IUPAC(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1ccnc(Br)c1
InChIInChI=1S/C10H9BrN2S/c11-9-5-7(1-3-13-9)10(12)8-2-4-14-6-8/h1-6,10H,12H2/t10-/m0/s1
InChIKeyZQFWBXQNWXSBCB-JTQLQIEISA-N
MW269.17 g/mol
LogP2.95
Rot. Bonds2

About (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine

(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine (PubChem CID 171203449) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
PubChem CID171203449
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name(S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1ccnc(Br)c1
InChIInChI=1S/C10H9BrN2S/c11-9-5-7(1-3-13-9)10(12)8-2-4-14-6-8/h1-6,10H,12H2/t10-/m0/s1
InChIKeyZQFWBXQNWXSBCB-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

(S)-(6-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203330
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
CID 130059138
(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
CID 171240805
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
4-[(S)-amino(thiophen-3-yl)methyl]-2,6-dibromophenol
CID 171200005
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(R)-(5-bromo-3-pyridinyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218200
(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
CID 130973088
(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171247522
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine (CID 171203449) is (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1ccnc(Br)c1.
What is the InChIKey of (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine?
The InChIKey is ZQFWBXQNWXSBCB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-9-5-7(1-3-13-9)10(12)8-2-4-14-6-8/h1-6,10H,12H2/t10-/m0/s1.
What are the key properties of (S)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine?
(S)-(2-bromo-4-pyridinyl)-thiophen-3-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)-(2-bromo-4-pyridinyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171203449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).