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

C18H18Cl2FNO4 — CID 58178527

IUPAC2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1OC(c2ccc(Cl)c(Cc3ccc(Cl)cn3)c2)C(O)C(O)C1F
InChIInChI=1S/C18H18Cl2FNO4/c19-11-2-3-12(22-7-11)6-10-5-9(1-4-13(10)20)18-17(25)16(24)15(21)14(8-23)26-18/h1-5,7,14-18,23-25H,6,8H2
InChIKeyVTGRQHNRHFYJFW-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.47
Rot. Bonds4

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

2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 58178527) has the molecular formula C18H18Cl2FNO4 and a molecular weight of 402.25 g/mol. Its IUPAC name is 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID58178527
Molecular FormulaC18H18Cl2FNO4
Molecular Weight402.25 g/mol
Exact Mass401.06
IUPAC Name2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1OC(c2ccc(Cl)c(Cc3ccc(Cl)cn3)c2)C(O)C(O)C1F
InChIInChI=1S/C18H18Cl2FNO4/c19-11-2-3-12(22-7-11)6-10-5-9(1-4-13(10)20)18-17(25)16(24)15(21)14(8-23)26-18/h1-5,7,14-18,23-25H,6,8H2
InChIKeyVTGRQHNRHFYJFW-UHFFFAOYSA-N
XLogP2.47
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 58178469
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 124643535
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-(18F)fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 71491052
(2S,3R,4R,5R,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-chlorophenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 23725182
(3R,5S)-2-[4-chloro-3-[(4-fluorophenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174314453
(3R,5S)-2-[4-chloro-3-[(5-pyrimidin-2-ylthiophen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66620067
2-[4-chloro-3-[[4-(4-fluorophenyl)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123441253
2-[4-chloro-3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123268965
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(2-fluoro-4-methylsulfanylphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70828012
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[2-(4-fluorophenoxy)ethoxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 86581271
(2S,3R,4R,5S,6R)-2-[3-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46889733
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[dideuterio-(3,5-difluoro-4-hydroxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 45107745

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (CID 58178527) is 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is OCC1OC(c2ccc(Cl)c(Cc3ccc(Cl)cn3)c2)C(O)C(O)C1F.
What is the InChIKey of 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is VTGRQHNRHFYJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO4/c19-11-2-3-12(22-7-11)6-10-5-9(1-4-13(10)20)18-17(25)16(24)15(21)14(8-23)26-18/h1-5,7,14-18,23-25H,6,8H2.
What are the key properties of 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 402.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-[(5-chloro-2-pyridinyl)methyl]phenyl]-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 58178527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).