[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine

C12H10BrN3S — CID 81462365

IUPAC[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(-c3ccc(Br)s3)cn2c1
InChIInChI=1S/C12H10BrN3S/c13-11-3-2-10(17-11)9-7-16-6-8(5-14)1-4-12(16)15-9/h1-4,6-7H,5,14H2
InChIKeyKKFUXEKFXSFNST-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.28
Rot. Bonds2

About [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine

[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 81462365) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID81462365
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(-c3ccc(Br)s3)cn2c1
InChIInChI=1S/C12H10BrN3S/c13-11-3-2-10(17-11)9-7-16-6-8(5-14)1-4-12(16)15-9/h1-4,6-7H,5,14H2
InChIKeyKKFUXEKFXSFNST-UHFFFAOYSA-N
XLogP3.28
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine (CID 81462365) is [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine is NCc1ccc2nc(-c3ccc(Br)s3)cn2c1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is KKFUXEKFXSFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-11-3-2-10(17-11)9-7-16-6-8(5-14)1-4-12(16)15-9/h1-4,6-7H,5,14H2.
What are the key properties of [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 308.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 81462365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).