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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130918484
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N-tert-butyl-4-fluoropyridin-2-amine
CID 138648443
4-fluoro-N-pentan-3-ylpyridin-2-amine
CID 131084309
4-[(5-amino-2-pyridinyl)amino]butan-2-ol
CID 64928844
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368

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).