(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol

C9H13FN2O — CID 130918484

IUPAC(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
SMILESC[C@H](O)CCNc1ccc(F)cn1
InChIInChI=1S/C9H13FN2O/c1-7(13)4-5-11-9-3-2-8(10)6-12-9/h2-3,6-7,13H,4-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyDSXCLPBOONQUTJ-ZETCQYMHSA-N
MW184.21 g/mol
LogP1.40
Rot. Bonds4

About (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol

(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol (PubChem CID 130918484) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
PubChem CID130918484
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
SMILESC[C@H](O)CCNc1ccc(F)cn1
InChIInChI=1S/C9H13FN2O/c1-7(13)4-5-11-9-3-2-8(10)6-12-9/h2-3,6-7,13H,4-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyDSXCLPBOONQUTJ-ZETCQYMHSA-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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Related Compounds

4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
4-[(5-amino-2-pyridinyl)amino]butan-2-ol
CID 64928844
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
4-[(5-fluoropyrimidin-2-yl)amino]butan-2-ol
CID 115750155
4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130694376
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
4-[(5-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130561119
1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107153298
N-(2,3-dimethylbutyl)-5-fluoropyridin-2-amine
CID 64597559
N-(5-fluoro-2-pyridinyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048487
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol (CID 130918484) is (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol is C[C@H](O)CCNc1ccc(F)cn1.
What is the InChIKey of (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol?
The InChIKey is DSXCLPBOONQUTJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(13)4-5-11-9-3-2-8(10)6-12-9/h2-3,6-7,13H,4-5H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol?
(2S)-4-[(5-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 (2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 130918484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).