6-chloro-5-fluoroisoquinolin-1-amine

C9H6ClFN2 — CID 114489502

IUPAC6-chloro-5-fluoroisoquinolin-1-amine
SMILESNc1nccc2c(F)c(Cl)ccc12
InChIInChI=1S/C9H6ClFN2/c10-7-2-1-6-5(8(7)11)3-4-13-9(6)12/h1-4H,(H2,12,13)
InChIKeyBOWJLNXXQSRUGH-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.61
Rot. Bonds

About 6-chloro-5-fluoroisoquinolin-1-amine

6-chloro-5-fluoroisoquinolin-1-amine (PubChem CID 114489502) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 6-chloro-5-fluoroisoquinolin-1-amine.

Molecular Properties

Compound Name6-chloro-5-fluoroisoquinolin-1-amine
PubChem CID114489502
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name6-chloro-5-fluoroisoquinolin-1-amine
SMILESNc1nccc2c(F)c(Cl)ccc12
InChIInChI=1S/C9H6ClFN2/c10-7-2-1-6-5(8(7)11)3-4-13-9(6)12/h1-4H,(H2,12,13)
InChIKeyBOWJLNXXQSRUGH-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

4,7-dichloro-8-fluoroquinolin-3-amine
CID 102614171
3,6-dichloro-2-fluoroaniline
CID 46737655
4-chloro-3-(4-fluorophenyl)pyridin-2-amine
CID 119054060
1-chloro-8-fluoroisoquinolin-5-amine
CID 115020872
5-propan-2-yl-2,6-naphthyridin-1-amine
CID 163390323
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
6-chloro-7-methylisoquinolin-1-amine
CID 21300587
4-chloro-2,7-naphthyridin-1-amine
CID 71721041
4-chloro-3-(trifluoromethyl)pyridin-2-amine;ethane
CID 167491380
7-chloro-8-fluoro-2-methylquinolin-4-amine
CID 55136152
8-bromo-7-chloroquinolin-4-amine
CID 103481461
4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol
CID 178009457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoroisoquinolin-1-amine?
The IUPAC name of 6-chloro-5-fluoroisoquinolin-1-amine (CID 114489502) is 6-chloro-5-fluoroisoquinolin-1-amine.
What is the SMILES notation for 6-chloro-5-fluoroisoquinolin-1-amine?
The canonical SMILES for 6-chloro-5-fluoroisoquinolin-1-amine is Nc1nccc2c(F)c(Cl)ccc12.
What is the InChIKey of 6-chloro-5-fluoroisoquinolin-1-amine?
The InChIKey is BOWJLNXXQSRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-7-2-1-6-5(8(7)11)3-4-13-9(6)12/h1-4H,(H2,12,13).
What are the key properties of 6-chloro-5-fluoroisoquinolin-1-amine?
6-chloro-5-fluoroisoquinolin-1-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-1-amine is sourced from PubChem (CID 114489502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).