4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol

C15H17FN2O — CID 68978708

IUPAC4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol
SMILESCC(O)CCc1nccc(-c2ccccc2F)c1N
InChIInChI=1S/C15H17FN2O/c1-10(19)6-7-14-15(17)12(8-9-18-14)11-4-2-3-5-13(11)16/h2-5,8-10,19H,6-7,17H2,1H3
InChIKeyDTLIBKGBXGWTKY-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.78
Rot. Bonds4

About 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol

4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol (PubChem CID 68978708) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol
PubChem CID68978708
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol
SMILESCC(O)CCc1nccc(-c2ccccc2F)c1N
InChIInChI=1S/C15H17FN2O/c1-10(19)6-7-14-15(17)12(8-9-18-14)11-4-2-3-5-13(11)16/h2-5,8-10,19H,6-7,17H2,1H3
InChIKeyDTLIBKGBXGWTKY-UHFFFAOYSA-N
XLogP2.78
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol?
The IUPAC name of 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol (CID 68978708) is 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol.
What is the SMILES notation for 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol?
The canonical SMILES for 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol is CC(O)CCc1nccc(-c2ccccc2F)c1N.
What is the InChIKey of 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol?
The InChIKey is DTLIBKGBXGWTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(19)6-7-14-15(17)12(8-9-18-14)11-4-2-3-5-13(11)16/h2-5,8-10,19H,6-7,17H2,1H3.
What are the key properties of 4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol?
4-[3-amino-4-(2-fluorophenyl)-2-pyridinyl]butan-2-ol has a molecular weight of 260.31 g/mol, XLogP of 2.78, 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-fluorophenyl)-2-pyridinyl]butan-2-ol is sourced from PubChem (CID 68978708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).