2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol

C10H15FN2O2 — CID 107866452

IUPAC2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccnc(F)c1
InChIInChI=1S/C10H15FN2O2/c1-2-10(6-14,7-15)13-8-3-4-12-9(11)5-8/h3-5,14-15H,2,6-7H2,1H3,(H,12,13)
InChIKeyIDTMMTPDJZGBLN-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.77
Rot. Bonds5

About 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol

2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol (PubChem CID 107866452) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol
PubChem CID107866452
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccnc(F)c1
InChIInChI=1S/C10H15FN2O2/c1-2-10(6-14,7-15)13-8-3-4-12-9(11)5-8/h3-5,14-15H,2,6-7H2,1H3,(H,12,13)
InChIKeyIDTMMTPDJZGBLN-UHFFFAOYSA-N
XLogP0.77
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.77
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

2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
CID 62517986
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
2-(4-amino-3-ethoxyanilino)-2-ethylpropane-1,3-diol
CID 107864632
4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149289
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845
2-(3-amino-5-fluoroanilino)-2-ethylpropane-1,3-diol
CID 107864533
N'-(2-fluoro-4-pyridinyl)propanehydrazide
CID 130685681
2-anilino-2-ethylbutan-1-ol
CID 61046791
2-ethyl-2-[(6-nitro-3-pyridinyl)amino]propane-1,3-diol
CID 107866093
2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107868726
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]benzonitrile
CID 107865827

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol (CID 107866452) is 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol is CCC(CO)(CO)Nc1ccnc(F)c1.
What is the InChIKey of 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol?
The InChIKey is IDTMMTPDJZGBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-2-10(6-14,7-15)13-8-3-4-12-9(11)5-8/h3-5,14-15H,2,6-7H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol?
2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol has a molecular weight of 214.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol is sourced from PubChem (CID 107866452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).