6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol

C13H12F2N2O — CID 79782151

IUPAC6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCc2ccc(F)cc2F)nc1
InChIInChI=1S/C13H12F2N2O/c14-10-2-1-9(13(15)5-10)6-16-7-11-3-4-12(18)8-17-11/h1-5,8,16,18H,6-7H2
InChIKeyVWZSTTDPYDVSKR-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.36
Rot. Bonds4

About 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol

6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol (PubChem CID 79782151) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol
PubChem CID79782151
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCc2ccc(F)cc2F)nc1
InChIInChI=1S/C13H12F2N2O/c14-10-2-1-9(13(15)5-10)6-16-7-11-3-4-12(18)8-17-11/h1-5,8,16,18H,6-7H2
InChIKeyVWZSTTDPYDVSKR-UHFFFAOYSA-N
XLogP2.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79495143
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573
1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 55114176
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
1-(2,4-difluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64687357
6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
CID 79775562
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79793918
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132

Frequently Asked Questions

What is the IUPAC name of 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol (CID 79782151) is 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol is Oc1ccc(CNCc2ccc(F)cc2F)nc1.
What is the InChIKey of 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol?
The InChIKey is VWZSTTDPYDVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-10-2-1-9(13(15)5-10)6-16-7-11-3-4-12(18)8-17-11/h1-5,8,16,18H,6-7H2.
What are the key properties of 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol?
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol has a molecular weight of 250.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2,4-difluorophenyl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79782151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).