4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline

C13H6Cl2FN3 — CID 80550830

IUPAC4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
SMILESFc1c(Cl)nc(-c2ccnc3ccccc23)nc1Cl
InChIInChI=1S/C13H6Cl2FN3/c14-11-10(16)12(15)19-13(18-11)8-5-6-17-9-4-2-1-3-7(8)9/h1-6H
InChIKeyZOYUKPXHTIKGNA-UHFFFAOYSA-N
MW294.12 g/mol
LogP4.14
Rot. Bonds1

About 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline

4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline (PubChem CID 80550830) has the molecular formula C13H6Cl2FN3 and a molecular weight of 294.12 g/mol. Its IUPAC name is 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
PubChem CID80550830
Molecular FormulaC13H6Cl2FN3
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
SMILESFc1c(Cl)nc(-c2ccnc3ccccc23)nc1Cl
InChIInChI=1S/C13H6Cl2FN3/c14-11-10(16)12(15)19-13(18-11)8-5-6-17-9-4-2-1-3-7(8)9/h1-6H
InChIKeyZOYUKPXHTIKGNA-UHFFFAOYSA-N
XLogP4.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrimidin-2-ylquinoline
CID 123157198
4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)quinoline
CID 66313409
4-chloro-2-quinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470805
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
2-(1-benzothiophen-3-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550933
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
N-methyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867656
4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
CID 79749850
4-(3-fluorophenyl)quinoline
CID 141309372
4,6-dichloro-5-fluoro-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 80550935
5-(2,3-difluorophenyl)quinoline
CID 167880208
N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867940

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline?
The IUPAC name of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline (CID 80550830) is 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline.
What is the SMILES notation for 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline?
The canonical SMILES for 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline is Fc1c(Cl)nc(-c2ccnc3ccccc23)nc1Cl.
What is the InChIKey of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline?
The InChIKey is ZOYUKPXHTIKGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FN3/c14-11-10(16)12(15)19-13(18-11)8-5-6-17-9-4-2-1-3-7(8)9/h1-6H.
What are the key properties of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline?
4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline has a molecular weight of 294.12 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline is sourced from PubChem (CID 80550830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).