methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate

C10H7ClN2O3 — CID 24728365

IUPACmethyl 6-chloro-3-formyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2n[nH]c(C=O)c12
InChIInChI=1S/C10H7ClN2O3/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-14)13-12-7/h2-4H,1H3,(H,12,13)
InChIKeyKSMQNCMPFXLFFV-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.82
Rot. Bonds2

About methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate

methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate (PubChem CID 24728365) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-formyl-2H-indazole-4-carboxylate
PubChem CID24728365
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Namemethyl 6-chloro-3-formyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2n[nH]c(C=O)c12
InChIInChI=1S/C10H7ClN2O3/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-14)13-12-7/h2-4H,1H3,(H,12,13)
InChIKeyKSMQNCMPFXLFFV-UHFFFAOYSA-N
XLogP1.82
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
CID 24728090
6-chloro-4-hydroxy-2H-indazole-3-carbaldehyde
CID 135890243
methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate
CID 74890533
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
4-chloro-2-methoxycarbonylbenzoic acid;methyl 5-chloro-2-formylbenzoate
CID 162051052
methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
CID 24728389
4-chloro-6-fluoro-2H-indazole-3-carbaldehyde
CID 24728176
methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 8-bromo-3-chloronaphthalene-1-carboxylate
CID 154726007
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate
CID 84634022

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate?
The IUPAC name of methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate (CID 24728365) is methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate?
The canonical SMILES for methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate is COC(=O)c1cc(Cl)cc2n[nH]c(C=O)c12.
What is the InChIKey of methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate?
The InChIKey is KSMQNCMPFXLFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-14)13-12-7/h2-4H,1H3,(H,12,13).
What are the key properties of methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate?
methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate has a molecular weight of 238.63 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate is sourced from PubChem (CID 24728365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).