methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate

C11H6ClF2NO2 — CID 102614340

IUPACmethyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C11H6ClF2NO2/c1-17-11(16)6-4-15-8-3-5(13)2-7(14)9(8)10(6)12/h2-4H,1H3
InChIKeySZMQKIYTLYSYRG-UHFFFAOYSA-N
MW257.62 g/mol
LogP2.95
Rot. Bonds1

About methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate

methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate (PubChem CID 102614340) has the molecular formula C11H6ClF2NO2 and a molecular weight of 257.62 g/mol. Its IUPAC name is methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
PubChem CID102614340
Molecular FormulaC11H6ClF2NO2
Molecular Weight257.62 g/mol
Exact Mass257.01
IUPAC Namemethyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C11H6ClF2NO2/c1-17-11(16)6-4-15-8-3-5(13)2-7(14)9(8)10(6)12/h2-4H,1H3
InChIKeySZMQKIYTLYSYRG-UHFFFAOYSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.62
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 4,8-dichloro-5-fluoroquinoline-3-carboxylate
CID 107528768
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
CID 107627758
methyl 4,5,8-trichloroquinoline-3-carboxylate
CID 102614359
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
methyl 4-azido-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614678
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
methyl 4,6-dichloro-5-phosphanylpyridine-3-carboxylate
CID 178139043

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate?
The IUPAC name of methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate (CID 102614340) is methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate is COC(=O)c1cnc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate?
The InChIKey is SZMQKIYTLYSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NO2/c1-17-11(16)6-4-15-8-3-5(13)2-7(14)9(8)10(6)12/h2-4H,1H3.
What are the key properties of methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate?
methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate has a molecular weight of 257.62 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate is sourced from PubChem (CID 102614340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).