(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine

C12H13BrN2S — CID 43125136

IUPAC(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cncc(Br)c2)s1
InChIInChI=1S/C12H13BrN2S/c1-2-10-3-4-11(16-10)12(14)8-5-9(13)7-15-6-8/h3-7,12H,2,14H2,1H3
InChIKeyHZFOWYXHKQEIMO-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.52
Rot. Bonds3

About (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine

(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 43125136) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID43125136
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cncc(Br)c2)s1
InChIInChI=1S/C12H13BrN2S/c1-2-10-3-4-11(16-10)12(14)8-5-9(13)7-15-6-8/h3-7,12H,2,14H2,1H3
InChIKeyHZFOWYXHKQEIMO-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480738
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
(5-ethylthiophen-2-yl)-(4-iodophenyl)methanamine
CID 43124893
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
CID 105054323
(4-bromo-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198307
(R)-(5-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 93054019
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine (CID 43125136) is (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2cncc(Br)c2)s1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is HZFOWYXHKQEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-2-10-3-4-11(16-10)12(14)8-5-9(13)7-15-6-8/h3-7,12H,2,14H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine?
(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 297.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 43125136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).