4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline

C16H12ClFN2 — CID 59631265

IUPAC4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1Cl
InChIInChI=1S/C16H12ClFN2/c1-9-6-7-11(18)13-14(17)10(2)16(20-15(9)13)12-5-3-4-8-19-12/h3-8H,1-2H3
InChIKeyKZYODFMACIZGFR-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.71
Rot. Bonds1

About 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline

4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline (PubChem CID 59631265) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline
PubChem CID59631265
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC Name4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1Cl
InChIInChI=1S/C16H12ClFN2/c1-9-6-7-11(18)13-14(17)10(2)16(20-15(9)13)12-5-3-4-8-19-12/h3-8H,1-2H3
InChIKeyKZYODFMACIZGFR-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline?
The IUPAC name of 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline (CID 59631265) is 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline is Cc1c(-c2ccccn2)nc2c(C)ccc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline?
The InChIKey is KZYODFMACIZGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c1-9-6-7-11(18)13-14(17)10(2)16(20-15(9)13)12-5-3-4-8-19-12/h3-8H,1-2H3.
What are the key properties of 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline?
4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline has a molecular weight of 286.74 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 59631265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).