4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol

C15H16F2N2O — CID 69110228

IUPAC4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol
SMILESCC(O)CCc1nccc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C15H16F2N2O/c1-9(20)2-5-14-15(18)11(6-7-19-14)12-8-10(16)3-4-13(12)17/h3-4,6-9,20H,2,5,18H2,1H3
InChIKeyHYURQPWSWHINND-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.92
Rot. Bonds4

About 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol

4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol (PubChem CID 69110228) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol
PubChem CID69110228
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol
SMILESCC(O)CCc1nccc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C15H16F2N2O/c1-9(20)2-5-14-15(18)11(6-7-19-14)12-8-10(16)3-4-13(12)17/h3-4,6-9,20H,2,5,18H2,1H3
InChIKeyHYURQPWSWHINND-UHFFFAOYSA-N
XLogP2.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluoro-phenyl)-4-(5-fluoro-pyridin-2-yl)-4-piperazin-1-yl-butan-1-ol
CID 44298902
US11420970, Example 209
CID 164850500
2-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-hydroxycyclohexyl]pyridine-3-guanidine
CID 6539709
3-Methyl-2-pyridinebutanol
CID 90668993
(+/-)-(1R,2R,4R,6S)-4-(3-aminopyridin-4-yl)-1-(fluoromethyl)-6-methylcyclohexane-1,2-diol
CID 70659250
(1R)-3-(3-fluoro-2-pyridinyl)-1-phenylpropan-1-ol
CID 154716068
(1R)-1-(3-fluorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 154716072
(1R)-1-(4-fluorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 154718303
(2R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]pent-4-en-2-ol
CID 162417830
4-(5-Phenyl-2-pyridyl)-butan-1-ol
CID 12051004
2-(4'-Methyl-[2,2'-bipyridin]-4-yl)ethan-1-ol
CID 14324169
[1-(Pyridin-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 25289814

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol?
The IUPAC name of 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol (CID 69110228) is 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol.
What is the SMILES notation for 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol?
The canonical SMILES for 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol is CC(O)CCc1nccc(-c2cc(F)ccc2F)c1N.
What is the InChIKey of 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol?
The InChIKey is HYURQPWSWHINND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-9(20)2-5-14-15(18)11(6-7-19-14)12-8-10(16)3-4-13(12)17/h3-4,6-9,20H,2,5,18H2,1H3.
What are the key properties of 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol?
4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(2,5-difluorophenyl)-2-pyridinyl]butan-2-ol is sourced from PubChem (CID 69110228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).