4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C9H7ClN2O2 — CID 71699701

IUPAC4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2cccc(CCl)c12
InChIInChI=1S/C9H7ClN2O2/c10-4-6-2-1-3-12-8(6)7(5-11-12)9(13)14/h1-3,5H,4H2,(H,13,14)
InChIKeyFCWFSZJRQMCJHM-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.77
Rot. Bonds2

About 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 71699701) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID71699701
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2cccc(CCl)c12
InChIInChI=1S/C9H7ClN2O2/c10-4-6-2-1-3-12-8(6)7(5-11-12)9(13)14/h1-3,5H,4H2,(H,13,14)
InChIKeyFCWFSZJRQMCJHM-UHFFFAOYSA-N
XLogP1.77
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212449
4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212435
4-[(4-methylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212424
ethane;4-(isoquinolin-3-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 155739153
3-fluoropyrazolo[1,5-a]pyridine-4-carboxylic acid
CID 146457225
4-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212440
4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212445
5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175276829
5-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 172640831
5-amino-1-[(2-hydroxyphenyl)methyl]pyrazole-4-carboxylic acid
CID 115069637
4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 150678861
4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 155402746

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 71699701) is 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2cccc(CCl)c12.
What is the InChIKey of 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is FCWFSZJRQMCJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-4-6-2-1-3-12-8(6)7(5-11-12)9(13)14/h1-3,5H,4H2,(H,13,14).
What are the key properties of 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 71699701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).