7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid

C19H14N2O3 — CID 154796379

IUPAC7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c(OCc3ccc4ccccc4c3)cccc12
InChIInChI=1S/C19H14N2O3/c22-19(23)18-15-6-3-7-16(17(15)20-21-18)24-11-12-8-9-13-4-1-2-5-14(13)10-12/h1-10H,11H2,(H,20,21)(H,22,23)
InChIKeyIYJDPUITSUKODS-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.99
Rot. Bonds4

About 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid

7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid (PubChem CID 154796379) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid
PubChem CID154796379
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c(OCc3ccc4ccccc4c3)cccc12
InChIInChI=1S/C19H14N2O3/c22-19(23)18-15-6-3-7-16(17(15)20-21-18)24-11-12-8-9-13-4-1-2-5-14(13)10-12/h1-10H,11H2,(H,20,21)(H,22,23)
InChIKeyIYJDPUITSUKODS-UHFFFAOYSA-N
XLogP3.99
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
3,5-bis(naphthalen-2-ylmethoxy)benzoic acid
CID 170676127
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid
CID 118428749
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3-[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]-2-hydroxypropanoic acid
CID 10116680
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013

Frequently Asked Questions

What is the IUPAC name of 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid?
The IUPAC name of 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid (CID 154796379) is 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid?
The canonical SMILES for 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2c(OCc3ccc4ccccc4c3)cccc12.
What is the InChIKey of 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid?
The InChIKey is IYJDPUITSUKODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19(23)18-15-6-3-7-16(17(15)20-21-18)24-11-12-8-9-13-4-1-2-5-14(13)10-12/h1-10H,11H2,(H,20,21)(H,22,23).
What are the key properties of 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid?
7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(naphthalen-2-ylmethoxy)-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 154796379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).