5-[(1S)-1,2-diaminoethyl]pyridin-3-ol

C7H11N3O — CID 55273539

IUPAC5-[(1S)-1,2-diaminoethyl]pyridin-3-ol
SMILESNC[C@@H](N)c1cncc(O)c1
InChIInChI=1S/C7H11N3O/c8-2-7(9)5-1-6(11)4-10-3-5/h1,3-4,7,11H,2,8-9H2/t7-/m1/s1
InChIKeyRQCIVKDFQMJDRK-SSDOTTSWSA-N
MW153.18 g/mol
LogP-0.25
Rot. Bonds2

About 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol

5-[(1S)-1,2-diaminoethyl]pyridin-3-ol (PubChem CID 55273539) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[(1S)-1,2-diaminoethyl]pyridin-3-ol
PubChem CID55273539
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-[(1S)-1,2-diaminoethyl]pyridin-3-ol
SMILESNC[C@@H](N)c1cncc(O)c1
InChIInChI=1S/C7H11N3O/c8-2-7(9)5-1-6(11)4-10-3-5/h1,3-4,7,11H,2,8-9H2/t7-/m1/s1
InChIKeyRQCIVKDFQMJDRK-SSDOTTSWSA-N
XLogP-0.25
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinol, 5-benzyl-
CID 796726
3-Hydroxy-5-methylpyridine
CID 224753
4,6-Dimethyl-3-Hydroxypyridine
CID 15047367
2,5-Dimethylpyridin-3-ol
CID 10240805
Prisotinol
CID 131302
5,6-Dimethylpyridin-3-ol
CID 10464346
6-Amino-5-methylpyridin-3-ol
CID 21436674
5-Hydroxypyridine-3-carbonitrile
CID 15342142
1-Benzylpyridin-1-ium-3-ol
CID 376756
4-(Aminomethyl)-6-tert-butylpyridin-3-ol
CID 12634261
2,4-Dimethyl-3-hydroxypyridine
CID 15047366
5-Phenylpyridin-3-ol
CID 2762902

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol?
The IUPAC name of 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol (CID 55273539) is 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol.
What is the SMILES notation for 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol?
The canonical SMILES for 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol is NC[C@@H](N)c1cncc(O)c1.
What is the InChIKey of 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol?
The InChIKey is RQCIVKDFQMJDRK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11N3O/c8-2-7(9)5-1-6(11)4-10-3-5/h1,3-4,7,11H,2,8-9H2/t7-/m1/s1.
What are the key properties of 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol?
5-[(1S)-1,2-diaminoethyl]pyridin-3-ol has a molecular weight of 153.18 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1,2-diaminoethyl]pyridin-3-ol is sourced from PubChem (CID 55273539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).