4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline

C20H13ClFN3 — CID 59631148

IUPAC4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2cc(F)c(-c3ccccn3)cc2c1Cl
InChIInChI=1S/C20H13ClFN3/c1-12-19(21)14-10-13(16-6-2-4-8-23-16)15(22)11-18(14)25-20(12)17-7-3-5-9-24-17/h2-11H,1H3
InChIKeyVXHGHHCYUXQZPA-UHFFFAOYSA-N
MW349.80 g/mol
LogP5.46
Rot. Bonds2

About 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline

4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline (PubChem CID 59631148) has the molecular formula C20H13ClFN3 and a molecular weight of 349.80 g/mol. Its IUPAC name is 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline
PubChem CID59631148
Molecular FormulaC20H13ClFN3
Molecular Weight349.80 g/mol
Exact Mass349.08
IUPAC Name4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline
SMILESCc1c(-c2ccccn2)nc2cc(F)c(-c3ccccn3)cc2c1Cl
InChIInChI=1S/C20H13ClFN3/c1-12-19(21)14-10-13(16-6-2-4-8-23-16)15(22)11-18(14)25-20(12)17-7-3-5-9-24-17/h2-11H,1H3
InChIKeyVXHGHHCYUXQZPA-UHFFFAOYSA-N
XLogP5.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.80
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline
CID 158164548
4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline
CID 59631212
4,8-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 59631137
4-chloro-5-fluoro-3,8-dimethyl-2-pyridin-2-ylquinoline
CID 59631265
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
4-ethenyl-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 59631216
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
5,8-difluoro-9-pyridin-2-ylbenzo[h]quinoline
CID 158692167
2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
CID 164927236
4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 141294738
2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine
CID 90095092
3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline
CID 90905440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline?
The IUPAC name of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline (CID 59631148) is 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline.
What is the SMILES notation for 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline?
The canonical SMILES for 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline is Cc1c(-c2ccccn2)nc2cc(F)c(-c3ccccn3)cc2c1Cl.
What is the InChIKey of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline?
The InChIKey is VXHGHHCYUXQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3/c1-12-19(21)14-10-13(16-6-2-4-8-23-16)15(22)11-18(14)25-20(12)17-7-3-5-9-24-17/h2-11H,1H3.
What are the key properties of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline?
4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline has a molecular weight of 349.80 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline is sourced from PubChem (CID 59631148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).