6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

C8H10FNO3 — CID 6852038

IUPAC6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1nc(F)c(CO)c(CO)c1O
InChIInChI=1S/C8H10FNO3/c1-4-7(13)5(2-11)6(3-12)8(9)10-4/h11-13H,2-3H2,1H3
InChIKeyIDPINNAOTHGQQW-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.22
Rot. Bonds2

About 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 6852038) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID6852038
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1nc(F)c(CO)c(CO)c1O
InChIInChI=1S/C8H10FNO3/c1-4-7(13)5(2-11)6(3-12)8(9)10-4/h11-13H,2-3H2,1H3
InChIKeyIDPINNAOTHGQQW-UHFFFAOYSA-N
XLogP0.22
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol (CID 6852038) is 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol is Cc1nc(F)c(CO)c(CO)c1O.
What is the InChIKey of 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is IDPINNAOTHGQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3/c1-4-7(13)5(2-11)6(3-12)8(9)10-4/h11-13H,2-3H2,1H3.
What are the key properties of 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol?
6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 187.17 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 6852038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).