1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol

C10H14FNO3 — CID 171873399

IUPAC1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
SMILESCc1cnc(F)cc1C(O)C(O)CCO
InChIInChI=1S/C10H14FNO3/c1-6-5-12-9(11)4-7(6)10(15)8(14)2-3-13/h4-5,8,10,13-15H,2-3H2,1H3
InChIKeyIGXNMXKLHWAXTN-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.31
Rot. Bonds4

About 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol

1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol (PubChem CID 171873399) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
PubChem CID171873399
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
SMILESCc1cnc(F)cc1C(O)C(O)CCO
InChIInChI=1S/C10H14FNO3/c1-6-5-12-9(11)4-7(6)10(15)8(14)2-3-13/h4-5,8,10,13-15H,2-3H2,1H3
InChIKeyIGXNMXKLHWAXTN-UHFFFAOYSA-N
XLogP0.31
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.31
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

1-(5-fluoro-2-methylphenyl)butane-1,2,4-triol
CID 171871828
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872056
S-[3-(6-fluoro-4-methyl-3-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821649
1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)butane-1,2,4-triol
CID 171873336
1-(2-methyl-5-nitro-3-pyridinyl)butane-1,2,4-triol
CID 171872681
1-(2-ethoxy-5-fluorophenyl)butane-1,2,4-triol
CID 171872620
1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2,4-triol
CID 171873020
1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872435
3-amino-1-(5-chloro-2-fluoro-4-pyridinyl)propane-1,2-diol
CID 170829115
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol (CID 171873399) is 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol is Cc1cnc(F)cc1C(O)C(O)CCO.
What is the InChIKey of 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol?
The InChIKey is IGXNMXKLHWAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-6-5-12-9(11)4-7(6)10(15)8(14)2-3-13/h4-5,8,10,13-15H,2-3H2,1H3.
What are the key properties of 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol?
1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol has a molecular weight of 215.22 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171873399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).