1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol

C10H15FN2O — CID 135123499

IUPAC1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1ncccc1F
InChIInChI=1S/C10H15FN2O/c1-2-8(14)6-12-7-10-9(11)4-3-5-13-10/h3-5,8,12,14H,2,6-7H2,1H3
InChIKeyCHSADHFMZVOBQV-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.08
Rot. Bonds5

About 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol

1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol (PubChem CID 135123499) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol
PubChem CID135123499
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol
SMILESCCC(O)CNCc1ncccc1F
InChIInChI=1S/C10H15FN2O/c1-2-8(14)6-12-7-10-9(11)4-3-5-13-10/h3-5,8,12,14H,2,6-7H2,1H3
InChIKeyCHSADHFMZVOBQV-UHFFFAOYSA-N
XLogP1.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol (CID 135123499) is 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol is CCC(O)CNCc1ncccc1F.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
The InChIKey is CHSADHFMZVOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-2-8(14)6-12-7-10-9(11)4-3-5-13-10/h3-5,8,12,14H,2,6-7H2,1H3.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol?
1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)methylamino]butan-2-ol is sourced from PubChem (CID 135123499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).