2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine

C11H10BrClN2S — CID 105139491

IUPAC2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1sccc1Br)c1ccncc1Cl
InChIInChI=1S/C11H10BrClN2S/c12-8-2-4-16-11(8)5-10(14)7-1-3-15-6-9(7)13/h1-4,6,10H,5,14H2
InChIKeySHMONRGTMGUDQG-UHFFFAOYSA-N
MW317.64 g/mol
LogP3.80
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine

2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 105139491) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
PubChem CID105139491
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1sccc1Br)c1ccncc1Cl
InChIInChI=1S/C11H10BrClN2S/c12-8-2-4-16-11(8)5-10(14)7-1-3-15-6-9(7)13/h1-4,6,10H,5,14H2
InChIKeySHMONRGTMGUDQG-UHFFFAOYSA-N
XLogP3.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105181188
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105169573
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 114025057
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159465
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine (CID 105139491) is 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine is NC(Cc1sccc1Br)c1ccncc1Cl.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is SHMONRGTMGUDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c12-8-2-4-16-11(8)5-10(14)7-1-3-15-6-9(7)13/h1-4,6,10H,5,14H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine has a molecular weight of 317.64 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 105139491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).