4-(3-amino-5-bromo-1H-indazol-6-yl)phenol

C13H10BrN3O — CID 135848027

IUPAC4-(3-amino-5-bromo-1H-indazol-6-yl)phenol
SMILESNc1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12
InChIInChI=1S/C13H10BrN3O/c14-11-5-10-12(16-17-13(10)15)6-9(11)7-1-3-8(18)4-2-7/h1-6,18H,(H3,15,16,17)
InChIKeyKHYQSHNVHNOWJP-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.28
Rot. Bonds1

About 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol

4-(3-amino-5-bromo-1H-indazol-6-yl)phenol (PubChem CID 135848027) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol.

Molecular Properties

Compound Name4-(3-amino-5-bromo-1H-indazol-6-yl)phenol
PubChem CID135848027
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name4-(3-amino-5-bromo-1H-indazol-6-yl)phenol
SMILESNc1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12
InChIInChI=1S/C13H10BrN3O/c14-11-5-10-12(16-17-13(10)15)6-9(11)7-1-3-8(18)4-2-7/h1-6,18H,(H3,15,16,17)
InChIKeyKHYQSHNVHNOWJP-UHFFFAOYSA-N
XLogP3.28
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-amino-6-(4-hydroxyphenyl)-1H-indazol-5-yl]phenol
CID 135848029
5,6-dibromo-1H-indazol-3-amine
CID 22319557
4-[3-amino-5-[(2,6-difluorophenyl)methyl]-1H-indazol-6-yl]phenol
CID 137123716
4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol
CID 137123714
5-bromo-6-methoxy-1H-indazol-3-amine
CID 155294306
4-(2,5-dibromophenyl)phenol
CID 86165332
4-[5-bromo-6-(4-hydroxyphenyl)-2H-indazol-3-yl]butanamide
CID 136649473
5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine
CID 151842688
4-[3-amino-5-(2-amino-4-pyridinyl)-1H-indazol-7-yl]phenol
CID 170352094
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
CID 159686938
2-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzoic acid
CID 154276679
N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848037

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol?
The IUPAC name of 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol (CID 135848027) is 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol.
What is the SMILES notation for 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol?
The canonical SMILES for 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol is Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Br)cc12.
What is the InChIKey of 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol?
The InChIKey is KHYQSHNVHNOWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-5-10-12(16-17-13(10)15)6-9(11)7-1-3-8(18)4-2-7/h1-6,18H,(H3,15,16,17).
What are the key properties of 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol?
4-(3-amino-5-bromo-1H-indazol-6-yl)phenol has a molecular weight of 304.15 g/mol, XLogP of 3.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-bromo-1H-indazol-6-yl)phenol is sourced from PubChem (CID 135848027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).