3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline

C15H9ClF2N2 — CID 90905440

IUPAC3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline
SMILESFc1cc(F)c2cc(CCl)c(-c3ccccn3)nc2c1
InChIInChI=1S/C15H9ClF2N2/c16-8-9-5-11-12(18)6-10(17)7-14(11)20-15(9)13-3-1-2-4-19-13/h1-7H,8H2
InChIKeyGMKKZFXRJFLYGL-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.31
Rot. Bonds2

About 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline

3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline (PubChem CID 90905440) has the molecular formula C15H9ClF2N2 and a molecular weight of 290.70 g/mol. Its IUPAC name is 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline
PubChem CID90905440
Molecular FormulaC15H9ClF2N2
Molecular Weight290.70 g/mol
Exact Mass290.04
IUPAC Name3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline
SMILESFc1cc(F)c2cc(CCl)c(-c3ccccn3)nc2c1
InChIInChI=1S/C15H9ClF2N2/c16-8-9-5-11-12(18)6-10(17)7-14(11)20-15(9)13-3-1-2-4-19-13/h1-7H,8H2
InChIKeyGMKKZFXRJFLYGL-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline
CID 59631148
5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline
CID 67517402
4-ethenyl-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 59631216
3-ethyl-2-pyridin-2-ylquinoline
CID 71056975
2,6-dichloro-3-pyridin-2-ylquinoxaline
CID 556140
2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine
CID 130408040
N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631259
5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
CID 56591659
2,3-dipyridin-2-ylquinoxaline;platinum(2+);bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 50910408
2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline
CID 146554889
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
4-(3-bromophenoxy)-7-fluoro-3-methyl-2-pyridin-2-ylquinoline
CID 141294738

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline?
The IUPAC name of 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline (CID 90905440) is 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline.
What is the SMILES notation for 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline?
The canonical SMILES for 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline is Fc1cc(F)c2cc(CCl)c(-c3ccccn3)nc2c1.
What is the InChIKey of 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline?
The InChIKey is GMKKZFXRJFLYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2/c16-8-9-5-11-12(18)6-10(17)7-14(11)20-15(9)13-3-1-2-4-19-13/h1-7H,8H2.
What are the key properties of 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline?
3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline has a molecular weight of 290.70 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5,7-difluoro-2-pyridin-2-ylquinoline is sourced from PubChem (CID 90905440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).