3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol

C8H10ClFN2O2 — CID 170829115

IUPAC3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(F)ncc1Cl
InChIInChI=1S/C8H10ClFN2O2/c9-5-3-12-7(10)1-4(5)8(14)6(13)2-11/h1,3,6,8,13-14H,2,11H2
InChIKeyHFKNWLPRVAHLQN-UHFFFAOYSA-N
MW220.63 g/mol
LogP0.23
Rot. Bonds3

About 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol

3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol (PubChem CID 170829115) has the molecular formula C8H10ClFN2O2 and a molecular weight of 220.63 g/mol. Its IUPAC name is 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol
PubChem CID170829115
Molecular FormulaC8H10ClFN2O2
Molecular Weight220.63 g/mol
Exact Mass220.04
IUPAC Name3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(F)ncc1Cl
InChIInChI=1S/C8H10ClFN2O2/c9-5-3-12-7(10)1-4(5)8(14)6(13)2-11/h1,3,6,8,13-14H,2,11H2
InChIKeyHFKNWLPRVAHLQN-UHFFFAOYSA-N
XLogP0.23
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.63
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825058
benzyl N-[4-(5-chloro-2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171889528
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505
3-amino-1-(2-chloro-5-fluoro-4-nitrophenyl)propane-1,2-diol
CID 170828712
3-amino-1-(2-amino-5-chloro-3-fluorophenyl)propane-1,2-diol
CID 170828108
3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
CID 170827687
4-(3-amino-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170828597
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
CID 171873399
3-amino-1-[2-chloro-4-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828895
3-(3-amino-1,2-dihydroxypropyl)-4-chlorobenzoic acid
CID 170828286
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol (CID 170829115) is 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol is NCC(O)C(O)c1cc(F)ncc1Cl.
What is the InChIKey of 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol?
The InChIKey is HFKNWLPRVAHLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2/c9-5-3-12-7(10)1-4(5)8(14)6(13)2-11/h1,3,6,8,13-14H,2,11H2.
What are the key properties of 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol?
3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol has a molecular weight of 220.63 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170829115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).