6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine

C7H6BrN3O — CID 59352806

IUPAC6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine
SMILESCc1nc2oc(N)nc2cc1Br
InChIInChI=1S/C7H6BrN3O/c1-3-4(8)2-5-6(10-3)12-7(9)11-5/h2H,1H3,(H2,9,11)
InChIKeyBZXXMWDAXOGMFL-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.88
Rot. Bonds

About 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine

6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine (PubChem CID 59352806) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine
PubChem CID59352806
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine
SMILESCc1nc2oc(N)nc2cc1Br
InChIInChI=1S/C7H6BrN3O/c1-3-4(8)2-5-6(10-3)12-7(9)11-5/h2H,1H3,(H2,9,11)
InChIKeyBZXXMWDAXOGMFL-UHFFFAOYSA-N
XLogP1.88
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 40235
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CID 71627060
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CID 86775533
CID 86775533
CID 130116192
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CID 44553521
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CID 58047196
CID 58047196
CID 59282819
CID 59282819
CID 59352826
CID 59352826
CID 59352865
CID 59352865
CID 82337940
CID 82337940

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine (CID 59352806) is 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine is Cc1nc2oc(N)nc2cc1Br.
What is the InChIKey of 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine?
The InChIKey is BZXXMWDAXOGMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c1-3-4(8)2-5-6(10-3)12-7(9)11-5/h2H,1H3,(H2,9,11).
What are the key properties of 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine?
6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine has a molecular weight of 228.05 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 59352806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).