3-(3-amino-4-pyridinyl)prop-2-en-1-ol

C8H10N2O — CID 169452853

IUPAC3-(3-amino-4-pyridinyl)prop-2-en-1-ol
SMILESNc1cnccc1C=CCO
InChIInChI=1S/C8H10N2O/c9-8-6-10-4-3-7(8)2-1-5-11/h1-4,6,11H,5,9H2
InChIKeyRSZIQOYXBDUQFX-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.67
Rot. Bonds2

About 3-(3-amino-4-pyridinyl)prop-2-en-1-ol

3-(3-amino-4-pyridinyl)prop-2-en-1-ol (PubChem CID 169452853) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(3-amino-4-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-amino-4-pyridinyl)prop-2-en-1-ol
PubChem CID169452853
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-(3-amino-4-pyridinyl)prop-2-en-1-ol
SMILESNc1cnccc1C=CCO
InChIInChI=1S/C8H10N2O/c9-8-6-10-4-3-7(8)2-1-5-11/h1-4,6,11H,5,9H2
InChIKeyRSZIQOYXBDUQFX-UHFFFAOYSA-N
XLogP0.67
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-amino-4-pyridinyl)prop-2-en-1-ol (CID 169452853) is 3-(3-amino-4-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-amino-4-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-amino-4-pyridinyl)prop-2-en-1-ol is Nc1cnccc1C=CCO.
What is the InChIKey of 3-(3-amino-4-pyridinyl)prop-2-en-1-ol?
The InChIKey is RSZIQOYXBDUQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-8-6-10-4-3-7(8)2-1-5-11/h1-4,6,11H,5,9H2.
What are the key properties of 3-(3-amino-4-pyridinyl)prop-2-en-1-ol?
3-(3-amino-4-pyridinyl)prop-2-en-1-ol has a molecular weight of 150.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 169452853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).