2-(7-chloro-1-methylindazol-5-yl)acetic acid

C10H9ClN2O2 — CID 83891916

IUPAC2-(7-chloro-1-methylindazol-5-yl)acetic acid
SMILESCn1ncc2cc(CC(=O)O)cc(Cl)c21
InChIInChI=1S/C10H9ClN2O2/c1-13-10-7(5-12-13)2-6(3-8(10)11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyUAPQHPHEGZRRLG-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.85
Rot. Bonds2

About 2-(7-chloro-1-methylindazol-5-yl)acetic acid

2-(7-chloro-1-methylindazol-5-yl)acetic acid (PubChem CID 83891916) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(7-chloro-1-methylindazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-1-methylindazol-5-yl)acetic acid
PubChem CID83891916
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-(7-chloro-1-methylindazol-5-yl)acetic acid
SMILESCn1ncc2cc(CC(=O)O)cc(Cl)c21
InChIInChI=1S/C10H9ClN2O2/c1-13-10-7(5-12-13)2-6(3-8(10)11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyUAPQHPHEGZRRLG-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-methylindazole-5-carboxylic acid
CID 83885208
3-(7-chloro-1-methylindazol-5-yl)propan-1-amine
CID 83891471
7-chloro-5-methoxy-1-methylindazole
CID 84667229
(5-chloro-1-methylindazol-7-yl)methanol
CID 90418573
1-(1-methylpyrazolo[5,4-b]pyridin-5-yl)propan-2-one
CID 83877089
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
CID 118560478
(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol
CID 121415267
2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588748
2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978
2-(1-methylindazol-5-yl)oxyacetic acid
CID 84673968
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
5-chloro-1,7-dimethylindazole
CID 121266447

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methylindazol-5-yl)acetic acid?
The IUPAC name of 2-(7-chloro-1-methylindazol-5-yl)acetic acid (CID 83891916) is 2-(7-chloro-1-methylindazol-5-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-1-methylindazol-5-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-1-methylindazol-5-yl)acetic acid is Cn1ncc2cc(CC(=O)O)cc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-methylindazol-5-yl)acetic acid?
The InChIKey is UAPQHPHEGZRRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13-10-7(5-12-13)2-6(3-8(10)11)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 2-(7-chloro-1-methylindazol-5-yl)acetic acid?
2-(7-chloro-1-methylindazol-5-yl)acetic acid has a molecular weight of 224.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methylindazol-5-yl)acetic acid is sourced from PubChem (CID 83891916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).