methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate

C17H11ClFNO2 — CID 58553441

IUPACmethyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(F)c(-c3ccncc3Cl)c2c1
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)11-3-2-10-4-5-15(19)16(13(10)8-11)12-6-7-20-9-14(12)18/h2-9H,1H3
InChIKeyKNTYGDVVLCVJSY-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.48
Rot. Bonds2

About methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate

methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate (PubChem CID 58553441) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate
PubChem CID58553441
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Namemethyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccc(F)c(-c3ccncc3Cl)c2c1
InChIInChI=1S/C17H11ClFNO2/c1-22-17(21)11-3-2-10-4-5-15(19)16(13(10)8-11)12-6-7-20-9-14(12)18/h2-9H,1H3
InChIKeyKNTYGDVVLCVJSY-UHFFFAOYSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
CID 58553228
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 8-(5-chloro-2-fluoro-3-pyridinyl)naphthalene-2-carboxylate
CID 58553365
methyl 4-chloro-1-(2,3-difluoro-6-methylphenyl)isoquinoline-7-carboxylate
CID 67961581
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 4-(4-chloro-2-fluorophenyl)pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate
CID 118278250
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 8-chloro-4-(2,4,6-trifluorophenyl)quinoline-6-carboxylate
CID 67961034
methyl 8-(2-chlorophenyl)-7-isocyanonaphthalene-2-carboxylate
CID 88553970

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate (CID 58553441) is methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate is COC(=O)c1ccc2ccc(F)c(-c3ccncc3Cl)c2c1.
What is the InChIKey of methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate?
The InChIKey is KNTYGDVVLCVJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-22-17(21)11-3-2-10-4-5-15(19)16(13(10)8-11)12-6-7-20-9-14(12)18/h2-9H,1H3.
What are the key properties of methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate?
methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate has a molecular weight of 315.73 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-chloro-4-pyridinyl)-7-fluoronaphthalene-2-carboxylate is sourced from PubChem (CID 58553441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).