(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol

C10H8ClFN2O — CID 135343189

IUPAC(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol
SMILESNc1cc2cc(CO)c(F)c(Cl)c2cn1
InChIInChI=1S/C10H8ClFN2O/c11-9-7-3-14-8(13)2-5(7)1-6(4-15)10(9)12/h1-3,15H,4H2,(H2,13,14)
InChIKeyKEFQHJPSISDVGF-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.10
Rot. Bonds1

About (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol

(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol (PubChem CID 135343189) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol.

Molecular Properties

Compound Name(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol
PubChem CID135343189
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol
SMILESNc1cc2cc(CO)c(F)c(Cl)c2cn1
InChIInChI=1S/C10H8ClFN2O/c11-9-7-3-14-8(13)2-5(7)1-6(4-15)10(9)12/h1-3,15H,4H2,(H2,13,14)
InChIKeyKEFQHJPSISDVGF-UHFFFAOYSA-N
XLogP2.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol?
The IUPAC name of (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol (CID 135343189) is (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol.
What is the SMILES notation for (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol?
The canonical SMILES for (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol is Nc1cc2cc(CO)c(F)c(Cl)c2cn1.
What is the InChIKey of (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol?
The InChIKey is KEFQHJPSISDVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-9-7-3-14-8(13)2-5(7)1-6(4-15)10(9)12/h1-3,15H,4H2,(H2,13,14).
What are the key properties of (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol?
(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol has a molecular weight of 226.64 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-chloro-7-fluoroisoquinolin-6-yl)methanol is sourced from PubChem (CID 135343189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).