4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol

C9H13FN2O — CID 130694376

IUPAC4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1cc(F)ccn1
InChIInChI=1S/C9H13FN2O/c1-7(13)2-4-11-9-6-8(10)3-5-12-9/h3,5-7,13H,2,4H2,1H3,(H,11,12)
InChIKeyXTQZOZWZTFJKIE-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.40
Rot. Bonds4

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

4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol (PubChem CID 130694376) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol
PubChem CID130694376
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1cc(F)ccn1
InChIInChI=1S/C9H13FN2O/c1-7(13)2-4-11-9-6-8(10)3-5-12-9/h3,5-7,13H,2,4H2,1H3,(H,11,12)
InChIKeyXTQZOZWZTFJKIE-UHFFFAOYSA-N
XLogP1.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol (CID 130694376) is 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol is CC(O)CCNc1cc(F)ccn1.
What is the InChIKey of 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol?
The InChIKey is XTQZOZWZTFJKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(13)2-4-11-9-6-8(10)3-5-12-9/h3,5-7,13H,2,4H2,1H3,(H,11,12).
What are the key properties of 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol?
4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 130694376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).