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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Related Compounds

(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207900
N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207949
N-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]formamide;piperidine
CID 169207826
(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 169208126
3-chloro-4-(4-fluorophenyl)phenol
CID 46314342
(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 169208592
[5-(4-chloro-3-pyridinyl)-1H-indazol-3-yl]thiourea
CID 87418767
(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
tert-butyl piperidine-1-carboxylate;N-[5-(2-chloro-4-hydroxyphenyl)-1-tritylindazol-3-yl]formamide
CID 169208146
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
CID 169207878
N-[6-(3,5-dimethoxyphenyl)-1H-indazol-3-yl]formamide
CID 175394496
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopropylamino)cyclobutane-1-carboxamide
CID 169208416

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).