5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol

C8H12N2O2 — CID 55291948

IUPAC5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol
SMILESN[C@H](CCO)c1cncc(O)c1
InChIInChI=1S/C8H12N2O2/c9-8(1-2-11)6-3-7(12)5-10-4-6/h3-5,8,11-12H,1-2,9H2/t8-/m1/s1
InChIKeyKTCIWYUCCWFLPZ-MRVPVSSYSA-N
MW168.20 g/mol
LogP0.17
Rot. Bonds3

About 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol

5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol (PubChem CID 55291948) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol
PubChem CID55291948
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol
SMILESN[C@H](CCO)c1cncc(O)c1
InChIInChI=1S/C8H12N2O2/c9-8(1-2-11)6-3-7(12)5-10-4-6/h3-5,8,11-12H,1-2,9H2/t8-/m1/s1
InChIKeyKTCIWYUCCWFLPZ-MRVPVSSYSA-N
XLogP0.17
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol?
The IUPAC name of 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol (CID 55291948) is 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol.
What is the SMILES notation for 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol?
The canonical SMILES for 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol is N[C@H](CCO)c1cncc(O)c1.
What is the InChIKey of 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol?
The InChIKey is KTCIWYUCCWFLPZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-8(1-2-11)6-3-7(12)5-10-4-6/h3-5,8,11-12H,1-2,9H2/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol?
5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol has a molecular weight of 168.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol is sourced from PubChem (CID 55291948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).