(2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol

C11H14ClFN2O4 — CID 165180237

IUPAC(2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ncc(Cl)cc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14ClFN2O4/c12-5-1-6(13)11(14-2-5)15-7-4-19-8(3-16)10(18)9(7)17/h1-2,7-10,16-18H,3-4H2,(H,14,15)/t7-,8-,9-,10+/m1/s1
InChIKeyYAXHWIFLHKXCSN-KYXWUPHJSA-N
MW292.69 g/mol
LogP-0.23
Rot. Bonds3

About (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 165180237) has the molecular formula C11H14ClFN2O4 and a molecular weight of 292.69 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID165180237
Molecular FormulaC11H14ClFN2O4
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name(2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ncc(Cl)cc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14ClFN2O4/c12-5-1-6(13)11(14-2-5)15-7-4-19-8(3-16)10(18)9(7)17/h1-2,7-10,16-18H,3-4H2,(H,14,15)/t7-,8-,9-,10+/m1/s1
InChIKeyYAXHWIFLHKXCSN-KYXWUPHJSA-N
XLogP-0.23
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975297
5-chloro-N-cyclobutyl-3-fluoropyridin-2-amine
CID 79727841
5-chloro-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 79728129
5-chloro-3-fluoro-N-(2-methylcyclobutyl)pyridin-2-amine
CID 130556137
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol
CID 165180135
5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
CID 79727736
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167408442
trans-(1R,2R)-2-N-(5-chloro-3-fluoro-2-pyridinyl)cyclohexane-1,2-diamine
CID 102738799
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
CID 79727754
5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727237
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 165180237) is (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@@H](Nc2ncc(Cl)cc2F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is YAXHWIFLHKXCSN-KYXWUPHJSA-N. The full InChI is InChI=1S/C11H14ClFN2O4/c12-5-1-6(13)11(14-2-5)15-7-4-19-8(3-16)10(18)9(7)17/h1-2,7-10,16-18H,3-4H2,(H,14,15)/t7-,8-,9-,10+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 292.69 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 165180237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).