(2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride

C9H13ClF2N2O2 — CID 160834768

IUPAC(2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride
SMILESCl.N[C@@H]([C@H](O)CO)C(F)(F)c1ccccn1
InChIInChI=1S/C9H12F2N2O2.ClH/c10-9(11,8(12)6(15)5-14)7-3-1-2-4-13-7;/h1-4,6,8,14-15H,5,12H2;1H/t6-,8+;/m1./s1
InChIKeyWWGMISZAOAFOGH-HNJRQZNRSA-N
MW254.66 g/mol
LogP0.28
Rot. Bonds4

About (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride

(2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride (PubChem CID 160834768) has the molecular formula C9H13ClF2N2O2 and a molecular weight of 254.66 g/mol. Its IUPAC name is (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride
PubChem CID160834768
Molecular FormulaC9H13ClF2N2O2
Molecular Weight254.66 g/mol
Exact Mass254.06
IUPAC Name(2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride
SMILESCl.N[C@@H]([C@H](O)CO)C(F)(F)c1ccccn1
InChIInChI=1S/C9H12F2N2O2.ClH/c10-9(11,8(12)6(15)5-14)7-3-1-2-4-13-7;/h1-4,6,8,14-15H,5,12H2;1H/t6-,8+;/m1./s1
InChIKeyWWGMISZAOAFOGH-HNJRQZNRSA-N
XLogP0.28
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride 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

3-Amino-2-(pyridin-2-ylmethyl)propan-1-ol
CID 24265020
2-Amino-2-(pyridin-2-yl)ethan-1-ol--hydrogen chloride (1/2)
CID 53407567
3-Amino-3-(pyridin-2-yl)propan-1-ol
CID 55292096
(S)-2-Amino-2-(pyridin-2-yl)ethanol dihydrochloride
CID 67033506
2-Amino-2-(pyridin-2-yl)ethanol
CID 22279532
4-(Pyridin-2-yl)butan-1-ol
CID 23273466
2-Amino-3-(pyridin-2-yl)propan-1-ol
CID 22240033
1-Fluoro-3-pyridin-2-ylpropan-2-ol
CID 142645414
2-Amino-1-(pyridin-2-yl)propane-1,3-diol dihydrochloride
CID 126809383
(2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol
CID 15953445
1,1,1-Trifluoro-3-(pyridin-2-yl)propan-2-ol
CID 64985157
5,5-Difluoro-5-pyridin-2-ylpentan-1-ol
CID 134969379

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride?
The IUPAC name of (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride (CID 160834768) is (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride?
The canonical SMILES for (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride is Cl.N[C@@H]([C@H](O)CO)C(F)(F)c1ccccn1.
What is the InChIKey of (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride?
The InChIKey is WWGMISZAOAFOGH-HNJRQZNRSA-N. The full InChI is InChI=1S/C9H12F2N2O2.ClH/c10-9(11,8(12)6(15)5-14)7-3-1-2-4-13-7;/h1-4,6,8,14-15H,5,12H2;1H/t6-,8+;/m1./s1.
What are the key properties of (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride?
(2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride has a molecular weight of 254.66 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-4,4-difluoro-4-pyridin-2-ylbutane-1,2-diol;hydrochloride is sourced from PubChem (CID 160834768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).