6-chloro-5-fluoroisoquinolin-4-amine

C9H6ClFN2 — CID 164921894

IUPAC6-chloro-5-fluoroisoquinolin-4-amine
SMILESNc1cncc2ccc(Cl)c(F)c12
InChIInChI=1S/C9H6ClFN2/c10-6-2-1-5-3-13-4-7(12)8(5)9(6)11/h1-4H,12H2
InChIKeyFHOZEPBYONIHRO-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.61
Rot. Bonds

About 6-chloro-5-fluoroisoquinolin-4-amine

6-chloro-5-fluoroisoquinolin-4-amine (PubChem CID 164921894) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 6-chloro-5-fluoroisoquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-5-fluoroisoquinolin-4-amine
PubChem CID164921894
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name6-chloro-5-fluoroisoquinolin-4-amine
SMILESNc1cncc2ccc(Cl)c(F)c12
InChIInChI=1S/C9H6ClFN2/c10-6-2-1-5-3-13-4-7(12)8(5)9(6)11/h1-4H,12H2
InChIKeyFHOZEPBYONIHRO-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 10465507
3,6-dichloro-2-fluoroaniline
CID 46737655
4-chloropyridine-3,5-diamine
CID 46856283
8-chloroisoquinolin-4-amine
CID 84718076
4,7-dichloro-8-fluoroquinolin-3-amine
CID 102614171
4-chloroisoquinolin-7-amine
CID 66642706
7-chloro-8-fluoro-2-methylquinolin-4-amine
CID 55136152
4-(2-chloro-5-fluorophenyl)pyridin-3-amine
CID 105395669
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
5-chloro-4-N-(2-fluoro-6-methylphenyl)pyridine-3,4-diamine
CID 114285893
6-amino-3-chloro-2-fluorobenzaldehyde
CID 126525308
4-chloro-2-ethyl-3-fluoroaniline
CID 134444327

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoroisoquinolin-4-amine?
The IUPAC name of 6-chloro-5-fluoroisoquinolin-4-amine (CID 164921894) is 6-chloro-5-fluoroisoquinolin-4-amine.
What is the SMILES notation for 6-chloro-5-fluoroisoquinolin-4-amine?
The canonical SMILES for 6-chloro-5-fluoroisoquinolin-4-amine is Nc1cncc2ccc(Cl)c(F)c12.
What is the InChIKey of 6-chloro-5-fluoroisoquinolin-4-amine?
The InChIKey is FHOZEPBYONIHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-6-2-1-5-3-13-4-7(12)8(5)9(6)11/h1-4H,12H2.
What are the key properties of 6-chloro-5-fluoroisoquinolin-4-amine?
6-chloro-5-fluoroisoquinolin-4-amine has a molecular weight of 196.61 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoroisoquinolin-4-amine is sourced from PubChem (CID 164921894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).