(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol

C16H13FN2O — CID 82685229

IUPAC(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
SMILESNc1ccc(F)cc1C(O)c1cccc2cnccc12
InChIInChI=1S/C16H13FN2O/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H,18H2
InChIKeyYTHBGGWBTXAFTA-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.04
Rot. Bonds2

About (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol

(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol (PubChem CID 82685229) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
PubChem CID82685229
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
SMILESNc1ccc(F)cc1C(O)c1cccc2cnccc12
InChIInChI=1S/C16H13FN2O/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H,18H2
InChIKeyYTHBGGWBTXAFTA-UHFFFAOYSA-N
XLogP3.04
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
CID 62813513
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol
CID 82703403

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol (CID 82685229) is (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol is Nc1ccc(F)cc1C(O)c1cccc2cnccc12.
What is the InChIKey of (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol?
The InChIKey is YTHBGGWBTXAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H,18H2.
What are the key properties of (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol?
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol has a molecular weight of 268.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 82685229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).