5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid

C12H14BrN3O2 — CID 94758220

IUPAC5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
SMILESCc1nc2cc(Br)cnc2n1CCCCC(=O)O
InChIInChI=1S/C12H14BrN3O2/c1-8-15-10-6-9(13)7-14-12(10)16(8)5-3-2-4-11(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyVCFRKGTZWXKEPN-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.76
Rot. Bonds5

About 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid

5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid (PubChem CID 94758220) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
PubChem CID94758220
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
SMILESCc1nc2cc(Br)cnc2n1CCCCC(=O)O
InChIInChI=1S/C12H14BrN3O2/c1-8-15-10-6-9(13)7-14-12(10)16(8)5-3-2-4-11(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyVCFRKGTZWXKEPN-UHFFFAOYSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
CID 56589527
Imidazo(1,2-a)pyridine-3-acetic acid, 2-methyl-
CID 87286
2-Bromo-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropanoic acid
CID 56641471
3-(6-Bromoimidazo[1,2-a]pyridin-3-yl)-2-fluoro-2-phosphonopropanoic acid
CID 137635744
6-(3-Methyl-imidazo[1,5-a]pyridin-5-yl)-hexanoic acid
CID 13206159
1-methyl-1H-imidazo(4,5-b)pyridine-2-carboxylic acid
CID 10631135
6-Bromo-3-methyl-3H-imidazo[4,5-b]pyridine
CID 10420697
6-bromo-1-methyl-1H-imidazo(4,5-b)pyridine
CID 10856781
6-bromo-2,3-dimethyl-3H-imidazo[4,5-b]pyridine
CID 12182933
6-Bromo-3-ethyl-3H-imidazo[4,5-b]pyridine
CID 23298303
1-Bromoimidazo[1,5-a]pyridine-3-carboxylic acid
CID 83678820
(+)-3-Ipehpc
CID 56641469

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
The IUPAC name of 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid (CID 94758220) is 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid.
What is the SMILES notation for 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
The canonical SMILES for 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid is Cc1nc2cc(Br)cnc2n1CCCCC(=O)O.
What is the InChIKey of 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
The InChIKey is VCFRKGTZWXKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8-15-10-6-9(13)7-14-12(10)16(8)5-3-2-4-11(17)18/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid has a molecular weight of 312.17 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid is sourced from PubChem (CID 94758220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).