N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide

C14H10ClN3O2 — CID 169208039

IUPACN-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide
SMILESO=CNc1n[nH]c2ccc(-c3ccc(O)cc3Cl)cc12
InChIInChI=1S/C14H10ClN3O2/c15-12-6-9(20)2-3-10(12)8-1-4-13-11(5-8)14(16-7-19)18-17-13/h1-7,20H,(H2,16,17,18,19)
InChIKeyVABTXPQCKOFYIA-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.16
Rot. Bonds3

About N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide

N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide (PubChem CID 169208039) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide
PubChem CID169208039
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC NameN-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide
SMILESO=CNc1n[nH]c2ccc(-c3ccc(O)cc3Cl)cc12
InChIInChI=1S/C14H10ClN3O2/c15-12-6-9(20)2-3-10(12)8-1-4-13-11(5-8)14(16-7-19)18-17-13/h1-7,20H,(H2,16,17,18,19)
InChIKeyVABTXPQCKOFYIA-UHFFFAOYSA-N
XLogP3.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide?
The IUPAC name of N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide (CID 169208039) is N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide.
What is the SMILES notation for N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide?
The canonical SMILES for N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide is O=CNc1n[nH]c2ccc(-c3ccc(O)cc3Cl)cc12.
What is the InChIKey of N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide?
The InChIKey is VABTXPQCKOFYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-12-6-9(20)2-3-10(12)8-1-4-13-11(5-8)14(16-7-19)18-17-13/h1-7,20H,(H2,16,17,18,19).
What are the key properties of N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide?
N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide has a molecular weight of 287.71 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]formamide is sourced from PubChem (CID 169208039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).