3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine

C9H6BrClN2S — CID 114837216

IUPAC3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine
SMILESClc1cnc(Nc2ccsc2)c(Br)c1
InChIInChI=1S/C9H6BrClN2S/c10-8-3-6(11)4-12-9(8)13-7-1-2-14-5-7/h1-5H,(H,12,13)
InChIKeyFRGBXKKYQAHCOW-UHFFFAOYSA-N
MW289.59 g/mol
LogP4.30
Rot. Bonds2

About 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine

3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine (PubChem CID 114837216) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine
PubChem CID114837216
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine
SMILESClc1cnc(Nc2ccsc2)c(Br)c1
InChIInChI=1S/C9H6BrClN2S/c10-8-3-6(11)4-12-9(8)13-7-1-2-14-5-7/h1-5H,(H,12,13)
InChIKeyFRGBXKKYQAHCOW-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
3-bromo-N-thiophen-3-ylpyridin-2-amine
CID 66353988
3-N-(3-bromo-5-chloro-2-pyridinyl)benzene-1,3-diamine
CID 114835563
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850623
5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563
N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
CID 114838670
N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
CID 114836575
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-bromo-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 114836561
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine (CID 114837216) is 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine is Clc1cnc(Nc2ccsc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine?
The InChIKey is FRGBXKKYQAHCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c10-8-3-6(11)4-12-9(8)13-7-1-2-14-5-7/h1-5H,(H,12,13).
What are the key properties of 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine?
3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine has a molecular weight of 289.59 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine is sourced from PubChem (CID 114837216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).