4-amino-5-bromo-6-fluoronaphthalen-2-ol

C10H7BrFNO — CID 176974538

IUPAC4-amino-5-bromo-6-fluoronaphthalen-2-ol
SMILESNc1cc(O)cc2ccc(F)c(Br)c12
InChIInChI=1S/C10H7BrFNO/c11-10-7(12)2-1-5-3-6(14)4-8(13)9(5)10/h1-4,14H,13H2
InChIKeyXSMWYDICXYPNCH-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.03
Rot. Bonds

About 4-amino-5-bromo-6-fluoronaphthalen-2-ol

4-amino-5-bromo-6-fluoronaphthalen-2-ol (PubChem CID 176974538) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 4-amino-5-bromo-6-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name4-amino-5-bromo-6-fluoronaphthalen-2-ol
PubChem CID176974538
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name4-amino-5-bromo-6-fluoronaphthalen-2-ol
SMILESNc1cc(O)cc2ccc(F)c(Br)c12
InChIInChI=1S/C10H7BrFNO/c11-10-7(12)2-1-5-3-6(14)4-8(13)9(5)10/h1-4,14H,13H2
InChIKeyXSMWYDICXYPNCH-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5,6-difluoronaphthalen-2-ol
CID 164921931
4-amino-5,6-dichloronaphthalen-2-ol
CID 171656642
3-bromo-4-fluoro-2-methylaniline;hydrochloride
CID 172829925
3-amino-5-fluoro-4-methylphenol
CID 131277286
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
6-fluoro-5-prop-1-ynyl-4-sulfanylnaphthalen-2-ol
CID 170081321
4-tert-butyl-5-ethyl-6-fluoronaphthalen-2-ol
CID 169009475
3-amino-4-fluorophenol;oxolane
CID 175270087
8-bromo-7-fluoro-1-methylisoquinoline
CID 136575901
2-(3-aminopropyl)-3-bromo-4-fluorophenol
CID 83900223
6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol
CID 170081699
4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol
CID 170107153

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-6-fluoronaphthalen-2-ol?
The IUPAC name of 4-amino-5-bromo-6-fluoronaphthalen-2-ol (CID 176974538) is 4-amino-5-bromo-6-fluoronaphthalen-2-ol.
What is the SMILES notation for 4-amino-5-bromo-6-fluoronaphthalen-2-ol?
The canonical SMILES for 4-amino-5-bromo-6-fluoronaphthalen-2-ol is Nc1cc(O)cc2ccc(F)c(Br)c12.
What is the InChIKey of 4-amino-5-bromo-6-fluoronaphthalen-2-ol?
The InChIKey is XSMWYDICXYPNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c11-10-7(12)2-1-5-3-6(14)4-8(13)9(5)10/h1-4,14H,13H2.
What are the key properties of 4-amino-5-bromo-6-fluoronaphthalen-2-ol?
4-amino-5-bromo-6-fluoronaphthalen-2-ol has a molecular weight of 256.07 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 176974538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).