methyl 1-chloroindazole-5-carboxylate

C9H7ClN2O2 — CID 175375288

IUPACmethyl 1-chloroindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cl)c1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-2-3-8-7(4-6)5-11-12(8)10/h2-5H,1H3
InChIKeyWXNVJYXWJZFXGW-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.82
Rot. Bonds1

About methyl 1-chloroindazole-5-carboxylate

methyl 1-chloroindazole-5-carboxylate (PubChem CID 175375288) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 1-chloroindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloroindazole-5-carboxylate
PubChem CID175375288
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 1-chloroindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cl)c1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-2-3-8-7(4-6)5-11-12(8)10/h2-5H,1H3
InChIKeyWXNVJYXWJZFXGW-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
methyl 1-tritylindazole-5-carboxylate
CID 141058528
methyl 3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 166128420
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690423
methyl 1-tritylindazole-6-carboxylate
CID 172754699
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690440
methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate
CID 170651487
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloroindazole-5-carboxylate?
The IUPAC name of methyl 1-chloroindazole-5-carboxylate (CID 175375288) is methyl 1-chloroindazole-5-carboxylate.
What is the SMILES notation for methyl 1-chloroindazole-5-carboxylate?
The canonical SMILES for methyl 1-chloroindazole-5-carboxylate is COC(=O)c1ccc2c(cnn2Cl)c1.
What is the InChIKey of methyl 1-chloroindazole-5-carboxylate?
The InChIKey is WXNVJYXWJZFXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)6-2-3-8-7(4-6)5-11-12(8)10/h2-5H,1H3.
What are the key properties of methyl 1-chloroindazole-5-carboxylate?
methyl 1-chloroindazole-5-carboxylate has a molecular weight of 210.62 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloroindazole-5-carboxylate is sourced from PubChem (CID 175375288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).