2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol

C13H12F2N2O — CID 79163518

IUPAC2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H12F2N2O/c1-8-2-5-13(18)12(17-8)7-16-9-3-4-10(14)11(15)6-9/h2-6,16,18H,7H2,1H3
InChIKeyJPCFTURNXIARJP-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.99
Rot. Bonds3

About 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol

2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol (PubChem CID 79163518) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
PubChem CID79163518
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H12F2N2O/c1-8-2-5-13(18)12(17-8)7-16-9-3-4-10(14)11(15)6-9/h2-6,16,18H,7H2,1H3
InChIKeyJPCFTURNXIARJP-UHFFFAOYSA-N
XLogP2.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol
CID 107643762
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol
CID 79150682
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
CID 79162815
2-[(4-butan-2-ylanilino)methyl]-6-methylpyridin-3-ol
CID 79162732
2-[[(6-chloro-5-methyl-3-pyridinyl)amino]methyl]-6-methylpyridin-3-ol
CID 103934398
2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79162906
6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol
CID 79156971
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156737
2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163434

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol (CID 79163518) is 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol?
The InChIKey is JPCFTURNXIARJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-2-5-13(18)12(17-8)7-16-9-3-4-10(14)11(15)6-9/h2-6,16,18H,7H2,1H3.
What are the key properties of 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol?
2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol has a molecular weight of 250.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79163518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).