4-methoxy-1H-indazole-3-carbonyl chloride

C9H7ClN2O2 — CID 76846252

IUPAC4-methoxy-1H-indazole-3-carbonyl chloride
SMILESCOc1cccc2[nH]nc(C(=O)Cl)c12
InChIInChI=1S/C9H7ClN2O2/c1-14-6-4-2-3-5-7(6)8(9(10)13)12-11-5/h2-4H,1H3,(H,11,12)
InChIKeyZZCPAKDMDWZJLL-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.95
Rot. Bonds2

About 4-methoxy-1H-indazole-3-carbonyl chloride

4-methoxy-1H-indazole-3-carbonyl chloride (PubChem CID 76846252) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 4-methoxy-1H-indazole-3-carbonyl chloride.

Molecular Properties

Compound Name4-methoxy-1H-indazole-3-carbonyl chloride
PubChem CID76846252
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name4-methoxy-1H-indazole-3-carbonyl chloride
SMILESCOc1cccc2[nH]nc(C(=O)Cl)c12
InChIInChI=1S/C9H7ClN2O2/c1-14-6-4-2-3-5-7(6)8(9(10)13)12-11-5/h2-4H,1H3,(H,11,12)
InChIKeyZZCPAKDMDWZJLL-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-1H-indazol-3-yl)-2,5-dimethyl-1H-imidazole-4-carboxamide
CID 157019090
ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate
CID 133062991
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
1-(1H-indazol-3-yl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90355469
4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid
CID 24728191
4-chloro-1H-indazole-3-carboxamide
CID 118798094
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661
4-methyl-1H-indazole-3-carboxamide
CID 67513423
5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-N-(4-methoxy-1H-indazol-3-yl)thiophene-2-sulfonamide
CID 58054454
methyl 4-formamido-1H-indazole-3-carboxylate
CID 168652080
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-indazole-3-carbonyl chloride?
The IUPAC name of 4-methoxy-1H-indazole-3-carbonyl chloride (CID 76846252) is 4-methoxy-1H-indazole-3-carbonyl chloride.
What is the SMILES notation for 4-methoxy-1H-indazole-3-carbonyl chloride?
The canonical SMILES for 4-methoxy-1H-indazole-3-carbonyl chloride is COc1cccc2[nH]nc(C(=O)Cl)c12.
What is the InChIKey of 4-methoxy-1H-indazole-3-carbonyl chloride?
The InChIKey is ZZCPAKDMDWZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-6-4-2-3-5-7(6)8(9(10)13)12-11-5/h2-4H,1H3,(H,11,12).
What are the key properties of 4-methoxy-1H-indazole-3-carbonyl chloride?
4-methoxy-1H-indazole-3-carbonyl chloride has a molecular weight of 210.62 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-indazole-3-carbonyl chloride is sourced from PubChem (CID 76846252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).