2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol

C12H9F3N2O — CID 103946844

IUPAC2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
SMILESOc1c(F)cc(CNc2ccc(F)nc2)cc1F
InChIInChI=1S/C12H9F3N2O/c13-9-3-7(4-10(14)12(9)18)5-16-8-1-2-11(15)17-6-8/h1-4,6,16,18H,5H2
InChIKeyPVBOYYPFXDMQRO-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.82
Rot. Bonds3

About 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol

2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol (PubChem CID 103946844) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
PubChem CID103946844
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
SMILESOc1c(F)cc(CNc2ccc(F)nc2)cc1F
InChIInChI=1S/C12H9F3N2O/c13-9-3-7(4-10(14)12(9)18)5-16-8-1-2-11(15)17-6-8/h1-4,6,16,18H,5H2
InChIKeyPVBOYYPFXDMQRO-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-5-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 104937745
4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
CID 79891482
2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
CID 79891958
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 103825810
4-[(1,3-benzodioxol-5-ylamino)methyl]-2,6-difluorophenol
CID 79886832
6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
CID 103825772
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 79891427
2-bromo-6-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103934212
N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
CID 103934256

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol (CID 103946844) is 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol is Oc1c(F)cc(CNc2ccc(F)nc2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol?
The InChIKey is PVBOYYPFXDMQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-9-3-7(4-10(14)12(9)18)5-16-8-1-2-11(15)17-6-8/h1-4,6,16,18H,5H2.
What are the key properties of 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol?
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol has a molecular weight of 254.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 103946844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).