2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid

C9H11BrN2O2 — CID 83825730

IUPAC2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid
SMILESO=C(O)CC1CCn2ncc(Br)c2C1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-12-2-1-6(3-8(7)12)4-9(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyNONFFBFIDBVZOB-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.68
Rot. Bonds2

About 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid

2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid (PubChem CID 83825730) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid
PubChem CID83825730
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid
SMILESO=C(O)CC1CCn2ncc(Br)c2C1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-12-2-1-6(3-8(7)12)4-9(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyNONFFBFIDBVZOB-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl)acetic acid
CID 83817108
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
2-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
CID 83866018
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 154843973
(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129474634
(5S)-5-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 100630985
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
CID 83867591
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577
5-amino-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 165463017
5-amino-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 165463014

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid (CID 83825730) is 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid is O=C(O)CC1CCn2ncc(Br)c2C1.
What is the InChIKey of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid?
The InChIKey is NONFFBFIDBVZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-5-11-12-2-1-6(3-8(7)12)4-9(13)14/h5-6H,1-4H2,(H,13,14).
What are the key properties of 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid?
2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid has a molecular weight of 259.10 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid is sourced from PubChem (CID 83825730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).