methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate

C14H10F3NO3 — CID 70654789

IUPACmethyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C14H10F3NO3/c1-21-14(20)11-3-2-8(15)13(18-11)12-9(16)4-7(6-19)5-10(12)17/h2-5,19H,6H2,1H3
InChIKeyXHTYZFNPLGFTNP-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.44
Rot. Bonds3

About methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate

methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 70654789) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
PubChem CID70654789
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namemethyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C14H10F3NO3/c1-21-14(20)11-3-2-8(15)13(18-11)12-9(16)4-7(6-19)5-10(12)17/h2-5,19H,6H2,1H3
InChIKeyXHTYZFNPLGFTNP-UHFFFAOYSA-N
XLogP2.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[2,6-difluoro-4-(2-methoxy-2-methylpropoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 70655100
methyl 6-[4-(2-ethoxyethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 70655294
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
CID 130063891
methyl 6-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 66652485
methyl 6-[2,6-difluoro-3-(2-oxopropyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 160623655
methyl 6-[2,6-difluoro-4-(4-fluorooxan-4-yl)phenyl]-5-fluoropyridine-2-carboxylate
CID 70654920
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
ethane;methyl 5-fluoro-6-methylpyridine-2-carboxylate
CID 176560584
6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxylate
CID 86670160
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate (CID 70654789) is methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2c(F)cc(CO)cc2F)n1.
What is the InChIKey of methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is XHTYZFNPLGFTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-21-14(20)11-3-2-8(15)13(18-11)12-9(16)4-7(6-19)5-10(12)17/h2-5,19H,6H2,1H3.
What are the key properties of methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate?
methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 297.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 70654789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).