2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol

C19H21ClFNO5 — CID 58178585

IUPAC2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCOc1ccc(Cc2cc(C3OC(CO)C(F)C(O)C3O)ccc2Cl)cn1
InChIInChI=1S/C19H21ClFNO5/c1-26-15-5-2-10(8-22-15)6-12-7-11(3-4-13(12)20)19-18(25)17(24)16(21)14(9-23)27-19/h2-5,7-8,14,16-19,23-25H,6,9H2,1H3
InChIKeyRIAMCFDQGANKRS-UHFFFAOYSA-N
MW397.83 g/mol
LogP1.83
Rot. Bonds5

About 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol

2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 58178585) has the molecular formula C19H21ClFNO5 and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID58178585
Molecular FormulaC19H21ClFNO5
Molecular Weight397.83 g/mol
Exact Mass397.11
IUPAC Name2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCOc1ccc(Cc2cc(C3OC(CO)C(F)C(O)C3O)ccc2Cl)cn1
InChIInChI=1S/C19H21ClFNO5/c1-26-15-5-2-10(8-22-15)6-12-7-11(3-4-13(12)20)19-18(25)17(24)16(21)14(9-23)27-19/h2-5,7-8,14,16-19,23-25H,6,9H2,1H3
InChIKeyRIAMCFDQGANKRS-UHFFFAOYSA-N
XLogP1.83
TPSA92.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (CID 58178585) is 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is COc1ccc(Cc2cc(C3OC(CO)C(F)C(O)C3O)ccc2Cl)cn1.
What is the InChIKey of 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is RIAMCFDQGANKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO5/c1-26-15-5-2-10(8-22-15)6-12-7-11(3-4-13(12)20)19-18(25)17(24)16(21)14(9-23)27-19/h2-5,7-8,14,16-19,23-25H,6,9H2,1H3.
What are the key properties of 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 397.83 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-[(6-methoxy-3-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 58178585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).