7-chloro-8-(trifluoromethyl)isoquinoline

C10H5ClF3N — CID 21393820

IUPAC7-chloro-8-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1c(Cl)ccc2ccncc12
InChIInChI=1S/C10H5ClF3N/c11-8-2-1-6-3-4-15-5-7(6)9(8)10(12,13)14/h1-5H
InChIKeyULOHUMLIAAQNLU-UHFFFAOYSA-N
MW231.60 g/mol
LogP3.91
Rot. Bonds

About 7-chloro-8-(trifluoromethyl)isoquinoline

7-chloro-8-(trifluoromethyl)isoquinoline (PubChem CID 21393820) has the molecular formula C10H5ClF3N and a molecular weight of 231.60 g/mol. Its IUPAC name is 7-chloro-8-(trifluoromethyl)isoquinoline.

Molecular Properties

Compound Name7-chloro-8-(trifluoromethyl)isoquinoline
PubChem CID21393820
Molecular FormulaC10H5ClF3N
Molecular Weight231.60 g/mol
Exact Mass231.01
IUPAC Name7-chloro-8-(trifluoromethyl)isoquinoline
SMILESFC(F)(F)c1c(Cl)ccc2ccncc12
InChIInChI=1S/C10H5ClF3N/c11-8-2-1-6-3-4-15-5-7(6)9(8)10(12,13)14/h1-5H
InChIKeyULOHUMLIAAQNLU-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.60
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,8-bis(trifluoromethyl)isoquinoline;hydrochloride
CID 159665833
7-nitro-8-(trifluoromethyl)isoquinoline
CID 21393838
7-chloro-8-iodoisoquinoline
CID 142740347
2,9-phenanthroline
CID 23271029
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
pyrido[3,4-f]phthalazine
CID 122577314
8-chloro-5-fluoroisoquinoline
CID 124707448
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
6-chloroisoquinolin-5-ol
CID 115015519
8-bromo-6-(trifluoromethyl)isoquinoline
CID 154727211
(8-chloroisoquinolin-5-yl)methanamine
CID 82573574
8-chloroisoquinolin-5-amine
CID 53421157

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(trifluoromethyl)isoquinoline?
The IUPAC name of 7-chloro-8-(trifluoromethyl)isoquinoline (CID 21393820) is 7-chloro-8-(trifluoromethyl)isoquinoline.
What is the SMILES notation for 7-chloro-8-(trifluoromethyl)isoquinoline?
The canonical SMILES for 7-chloro-8-(trifluoromethyl)isoquinoline is FC(F)(F)c1c(Cl)ccc2ccncc12.
What is the InChIKey of 7-chloro-8-(trifluoromethyl)isoquinoline?
The InChIKey is ULOHUMLIAAQNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N/c11-8-2-1-6-3-4-15-5-7(6)9(8)10(12,13)14/h1-5H.
What are the key properties of 7-chloro-8-(trifluoromethyl)isoquinoline?
7-chloro-8-(trifluoromethyl)isoquinoline has a molecular weight of 231.60 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(trifluoromethyl)isoquinoline is sourced from PubChem (CID 21393820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).