[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol

C13H12F2N2O — CID 105383032

IUPAC[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
SMILESCN(c1cccc(F)c1)c1nccc(CO)c1F
InChIInChI=1S/C13H12F2N2O/c1-17(11-4-2-3-10(14)7-11)13-12(15)9(8-18)5-6-16-13/h2-7,18H,8H2,1H3
InChIKeyUAAIQOLIFSEDCA-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.62
Rot. Bonds3

About [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol

[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol (PubChem CID 105383032) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
PubChem CID105383032
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol
SMILESCN(c1cccc(F)c1)c1nccc(CO)c1F
InChIInChI=1S/C13H12F2N2O/c1-17(11-4-2-3-10(14)7-11)13-12(15)9(8-18)5-6-16-13/h2-7,18H,8H2,1H3
InChIKeyUAAIQOLIFSEDCA-UHFFFAOYSA-N
XLogP2.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-ethyl-3-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383018
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105389511
[6-(3-fluoro-N-methylanilino)-5-methyl-3-pyridinyl]methanol
CID 80628282
[3-fluoro-2-[methyl(propan-2-yl)amino]-4-pyridinyl]methanol
CID 105382880
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
[3-fluoro-2-[propyl(prop-2-ynyl)amino]-4-pyridinyl]methanol
CID 105383144
[3-fluoro-2-[methyl(2-phenylethyl)amino]-4-pyridinyl]methanol
CID 105383104
N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216152
2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol
CID 115137475
[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383033
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609
8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328640

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol (CID 105383032) is [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol is CN(c1cccc(F)c1)c1nccc(CO)c1F.
What is the InChIKey of [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol?
The InChIKey is UAAIQOLIFSEDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-17(11-4-2-3-10(14)7-11)13-12(15)9(8-18)5-6-16-13/h2-7,18H,8H2,1H3.
What are the key properties of [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol?
[3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol has a molecular weight of 250.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(3-fluoro-N-methylanilino)-4-pyridinyl]methanol is sourced from PubChem (CID 105383032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).