4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C13H14FN3O2 — CID 116812929

IUPAC4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNc2cccc(F)n2)c1O
InChIInChI=1S/C13H14FN3O2/c1-8-13(19)10(9(7-18)5-15-8)6-16-12-4-2-3-11(14)17-12/h2-5,18-19H,6-7H2,1H3,(H,16,17)
InChIKeyHGVGWXXRXJUHNV-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.73
Rot. Bonds4

About 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 116812929) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID116812929
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNc2cccc(F)n2)c1O
InChIInChI=1S/C13H14FN3O2/c1-8-13(19)10(9(7-18)5-15-8)6-16-12-4-2-3-11(14)17-12/h2-5,18-19H,6-7H2,1H3,(H,16,17)
InChIKeyHGVGWXXRXJUHNV-UHFFFAOYSA-N
XLogP1.73
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 116812929) is 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNc2cccc(F)n2)c1O.
What is the InChIKey of 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is HGVGWXXRXJUHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-13(19)10(9(7-18)5-15-8)6-16-12-4-2-3-11(14)17-12/h2-5,18-19H,6-7H2,1H3,(H,16,17).
What are the key properties of 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 263.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 116812929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).