methyl 2-(1H-indazol-6-yl)propanoate

C11H12N2O2 — CID 70809324

IUPACmethyl 2-(1H-indazol-6-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-7(11(14)15-2)8-3-4-9-6-12-13-10(9)5-8/h3-7H,1-2H3,(H,12,13)
InChIKeyFWLCMVHPHRXOOH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.84
Rot. Bonds2

About methyl 2-(1H-indazol-6-yl)propanoate

methyl 2-(1H-indazol-6-yl)propanoate (PubChem CID 70809324) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-(1H-indazol-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1H-indazol-6-yl)propanoate
PubChem CID70809324
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-(1H-indazol-6-yl)propanoate
SMILESCOC(=O)C(C)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-7(11(14)15-2)8-3-4-9-6-12-13-10(9)5-8/h3-7H,1-2H3,(H,12,13)
InChIKeyFWLCMVHPHRXOOH-UHFFFAOYSA-N
XLogP1.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 21412612
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl 2-(6-bromonaphthalen-2-yl)propanoate
CID 154165948
propan-2-yl 1H-indazole-6-carboxylate
CID 33056357
methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
CID 59252820
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indazol-6-yl)propanoate?
The IUPAC name of methyl 2-(1H-indazol-6-yl)propanoate (CID 70809324) is methyl 2-(1H-indazol-6-yl)propanoate.
What is the SMILES notation for methyl 2-(1H-indazol-6-yl)propanoate?
The canonical SMILES for methyl 2-(1H-indazol-6-yl)propanoate is COC(=O)C(C)c1ccc2cn[nH]c2c1.
What is the InChIKey of methyl 2-(1H-indazol-6-yl)propanoate?
The InChIKey is FWLCMVHPHRXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(11(14)15-2)8-3-4-9-6-12-13-10(9)5-8/h3-7H,1-2H3,(H,12,13).
What are the key properties of methyl 2-(1H-indazol-6-yl)propanoate?
methyl 2-(1H-indazol-6-yl)propanoate has a molecular weight of 204.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indazol-6-yl)propanoate is sourced from PubChem (CID 70809324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).