4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol

C15H14ClN3O2 — CID 104663812

IUPAC4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNc2cccc3cn[nH]c23)c1O
InChIInChI=1S/C15H14ClN3O2/c1-21-13-6-11(16)5-10(15(13)20)7-17-12-4-2-3-9-8-18-19-14(9)12/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyOWQDFGBRJSQVJG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol

4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol (PubChem CID 104663812) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
PubChem CID104663812
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNc2cccc3cn[nH]c23)c1O
InChIInChI=1S/C15H14ClN3O2/c1-21-13-6-11(16)5-10(15(13)20)7-17-12-4-2-3-9-8-18-19-14(9)12/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyOWQDFGBRJSQVJG-UHFFFAOYSA-N
XLogP3.54
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
CID 5304120
4-chloro-2-[(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795043
2-(benzotriazol-1-yl)-N-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1021462
5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol
CID 30983488
4-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol
CID 43690850
2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol
CID 43690951
2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
CID 43690954
2-[(1H-indazol-7-ylamino)methyl]-4-methoxyphenol
CID 43730771
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-indazol-7-amine
CID 43730809
N-(1,3-benzodioxol-4-ylmethyl)-1H-indazol-7-amine
CID 43730810
4-[(1H-indazol-7-ylamino)methyl]-2-methoxyphenol
CID 43730828
N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-7-amine
CID 43730831

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol (CID 104663812) is 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol is COc1cc(Cl)cc(CNc2cccc3cn[nH]c23)c1O.
What is the InChIKey of 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
The InChIKey is OWQDFGBRJSQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-21-13-6-11(16)5-10(15(13)20)7-17-12-4-2-3-9-8-18-19-14(9)12/h2-6,8,17,20H,7H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol?
4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol has a molecular weight of 303.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 104663812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).