8-chloro-9-fluoropyrimido[1,2-a]indole

C11H6ClFN2 — CID 141445298

IUPAC8-chloro-9-fluoropyrimido[1,2-a]indole
SMILESFc1c(Cl)ccc2c1cc1ncccn12
InChIInChI=1S/C11H6ClFN2/c12-8-2-3-9-7(11(8)13)6-10-14-4-1-5-15(9)10/h1-6H
InChIKeyPMJCZPJIPKZNOA-UHFFFAOYSA-N
MW220.63 g/mol
LogP3.28
Rot. Bonds

About 8-chloro-9-fluoropyrimido[1,2-a]indole

8-chloro-9-fluoropyrimido[1,2-a]indole (PubChem CID 141445298) has the molecular formula C11H6ClFN2 and a molecular weight of 220.63 g/mol. Its IUPAC name is 8-chloro-9-fluoropyrimido[1,2-a]indole.

Molecular Properties

Compound Name8-chloro-9-fluoropyrimido[1,2-a]indole
PubChem CID141445298
Molecular FormulaC11H6ClFN2
Molecular Weight220.63 g/mol
Exact Mass220.02
IUPAC Name8-chloro-9-fluoropyrimido[1,2-a]indole
SMILESFc1c(Cl)ccc2c1cc1ncccn12
InChIInChI=1S/C11H6ClFN2/c12-8-2-3-9-7(11(8)13)6-10-14-4-1-5-15(9)10/h1-6H
InChIKeyPMJCZPJIPKZNOA-UHFFFAOYSA-N
XLogP3.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.63
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-5-phenylimidazo[1,2-a]quinoline
CID 14357903
2-(4-chloronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
CID 141372111
6-chloro-5-fluoroisoquinolin-1-amine
CID 114489502
pyrimido[1,2-c]pyrimidin-6-one
CID 156697085
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
pyrimido[1,2-a]indol-10-ol
CID 154409474
6-pyrrol-1-ylpyrrolo[1,2-a]pyrimidin-7-amine
CID 175672783
8-chloro-5-fluoroquinoline
CID 53435993
7-methyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-6-one
CID 59284274
6-chloro-7-fluoroimidazo[1,2-a]pyridine
CID 149368150
5,7-dichloroimidazo[1,2-a]pyridine
CID 155162524
imidazo[1,5-a]pyrimidin-6-amine
CID 69460100

Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-fluoropyrimido[1,2-a]indole?
The IUPAC name of 8-chloro-9-fluoropyrimido[1,2-a]indole (CID 141445298) is 8-chloro-9-fluoropyrimido[1,2-a]indole.
What is the SMILES notation for 8-chloro-9-fluoropyrimido[1,2-a]indole?
The canonical SMILES for 8-chloro-9-fluoropyrimido[1,2-a]indole is Fc1c(Cl)ccc2c1cc1ncccn12.
What is the InChIKey of 8-chloro-9-fluoropyrimido[1,2-a]indole?
The InChIKey is PMJCZPJIPKZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2/c12-8-2-3-9-7(11(8)13)6-10-14-4-1-5-15(9)10/h1-6H.
What are the key properties of 8-chloro-9-fluoropyrimido[1,2-a]indole?
8-chloro-9-fluoropyrimido[1,2-a]indole has a molecular weight of 220.63 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-fluoropyrimido[1,2-a]indole is sourced from PubChem (CID 141445298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).