6-[(1R)-1,2-diaminoethyl]pyridin-3-ol

C7H11N3O — CID 55274421

IUPAC6-[(1R)-1,2-diaminoethyl]pyridin-3-ol
SMILESNC[C@@H](N)c1ccc(O)cn1
InChIInChI=1S/C7H11N3O/c8-3-6(9)7-2-1-5(11)4-10-7/h1-2,4,6,11H,3,8-9H2/t6-/m1/s1
InChIKeyXMTZUYDJMNDXBZ-ZCFIWIBFSA-N
MW153.18 g/mol
LogP-0.25
Rot. Bonds2

About 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol

6-[(1R)-1,2-diaminoethyl]pyridin-3-ol (PubChem CID 55274421) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(1R)-1,2-diaminoethyl]pyridin-3-ol
PubChem CID55274421
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name6-[(1R)-1,2-diaminoethyl]pyridin-3-ol
SMILESNC[C@@H](N)c1ccc(O)cn1
InChIInChI=1S/C7H11N3O/c8-3-6(9)7-2-1-5(11)4-10-7/h1-2,4,6,11H,3,8-9H2/t6-/m1/s1
InChIKeyXMTZUYDJMNDXBZ-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol?
The IUPAC name of 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol (CID 55274421) is 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol.
What is the SMILES notation for 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol?
The canonical SMILES for 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol is NC[C@@H](N)c1ccc(O)cn1.
What is the InChIKey of 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol?
The InChIKey is XMTZUYDJMNDXBZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O/c8-3-6(9)7-2-1-5(11)4-10-7/h1-2,4,6,11H,3,8-9H2/t6-/m1/s1.
What are the key properties of 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol?
6-[(1R)-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 6-[(1R)-1,2-diaminoethyl]pyridin-3-ol is sourced from PubChem (CID 55274421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).