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

C12H12FN3O — CID 116812820

IUPAC2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(F)n2)n1
InChIInChI=1S/C12H12FN3O/c1-8-5-6-10(17)9(15-8)7-14-12-4-2-3-11(13)16-12/h2-6,17H,7H2,1H3,(H,14,16)
InChIKeyAABBVLGQQOKNHE-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.24
Rot. Bonds3

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

2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol (PubChem CID 116812820) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol
PubChem CID116812820
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(F)n2)n1
InChIInChI=1S/C12H12FN3O/c1-8-5-6-10(17)9(15-8)7-14-12-4-2-3-11(13)16-12/h2-6,17H,7H2,1H3,(H,14,16)
InChIKeyAABBVLGQQOKNHE-UHFFFAOYSA-N
XLogP2.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-methylpyridin-3-ol
CID 88500
6-(Piperazin-1-yl)pyridin-3-ol
CID 17819954
6-(Benzylamino)-2,4,5-trimethylpyridin-3-ol
CID 71622517
2,4,5-Trimethyl-6-(pyridin-2-ylamino)pyridin-3-ol
CID 124107076
6-(4-Fluoroanilino)-2,4,5-trimethylpyridin-3-ol
CID 124107085
6-(3-Fluoroanilino)-2,4,5-trimethylpyridin-3-ol
CID 124107093
2-[(6-Methyl-2-pyridinyl)amino]-3-pyridinol
CID 44404325
2,4,5-Trimethyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridin-3-ol
CID 145980161
2,4,5-Trimethyl-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridin-3-ol
CID 145981834
2,4,5-Trimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridin-3-ol
CID 145987611
2-[(Pyridin-4-yl)amino]pyridin-3-ol
CID 71565420
3-Hydroxy-4-(2-pyridyl-amino)pyridine
CID 129871935

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol (CID 116812820) is 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2cccc(F)n2)n1.
What is the InChIKey of 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is AABBVLGQQOKNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-5-6-10(17)9(15-8)7-14-12-4-2-3-11(13)16-12/h2-6,17H,7H2,1H3,(H,14,16).
What are the key properties of 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol?
2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 233.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-fluoro-2-pyridinyl)amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 116812820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).