4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline

C16H11BrF2N2 — CID 66632235

IUPAC4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Br)c2C)c1
InChIInChI=1S/C16H11BrF2N2/c1-8-3-4-20-13(5-8)16-9(2)15(17)14-11(19)6-10(18)7-12(14)21-16/h3-7H,1-2H3
InChIKeyUUQCWJYUYGVRBR-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.95
Rot. Bonds1

About 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline

4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline (PubChem CID 66632235) has the molecular formula C16H11BrF2N2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline.

Molecular Properties

Compound Name4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
PubChem CID66632235
Molecular FormulaC16H11BrF2N2
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Br)c2C)c1
InChIInChI=1S/C16H11BrF2N2/c1-8-3-4-20-13(5-8)16-9(2)15(17)14-11(19)6-10(18)7-12(14)21-16/h3-7H,1-2H3
InChIKeyUUQCWJYUYGVRBR-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
The IUPAC name of 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline (CID 66632235) is 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline.
What is the SMILES notation for 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
The canonical SMILES for 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline is Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Br)c2C)c1.
What is the InChIKey of 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
The InChIKey is UUQCWJYUYGVRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2/c1-8-3-4-20-13(5-8)16-9(2)15(17)14-11(19)6-10(18)7-12(14)21-16/h3-7H,1-2H3.
What are the key properties of 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline?
4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline has a molecular weight of 349.18 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline is sourced from PubChem (CID 66632235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).