1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid

C9H7BrN2O3 — CID 117254464

IUPAC1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1ccn2c(C(=O)O)nc(Br)c2c1
InChIInChI=1S/C9H7BrN2O3/c1-15-5-2-3-12-6(4-5)7(10)11-8(12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBTEVVNZOBHTDMV-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.80
Rot. Bonds2

About 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid

1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 117254464) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
PubChem CID117254464
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1ccn2c(C(=O)O)nc(Br)c2c1
InChIInChI=1S/C9H7BrN2O3/c1-15-5-2-3-12-6(4-5)7(10)11-8(12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBTEVVNZOBHTDMV-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromo-7-methoxyimidazo[1,5-a]pyridin-3-yl)acetaldehyde
CID 117253977
7-methoxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254425
3-[(cyclopropylamino)methyl]-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255414
2-ethyl-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83690690
3-(azepan-3-yl)-7-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254101
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-7-carboxylic acid
CID 83678824
1-bromo-3-(3,5-dimethoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 84745418
7-methoxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254202
1-[4-(7-methoxy-1-phenylimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 126473836
3-bromo-7-methoxyimidazo[1,2-a]pyridine-2-carbaldehyde
CID 84708360
2-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105459905
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid (CID 117254464) is 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid is COc1ccn2c(C(=O)O)nc(Br)c2c1.
What is the InChIKey of 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is BTEVVNZOBHTDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c1-15-5-2-3-12-6(4-5)7(10)11-8(12)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid?
1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 271.07 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methoxyimidazo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 117254464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).