2-[(1S)-1-aminoethyl]pyridin-3-ol

C7H10N2O — CID 96848333

IUPAC2-[(1S)-1-aminoethyl]pyridin-3-ol
SMILESC[C@H](N)c1ncccc1O
InChIInChI=1S/C7H10N2O/c1-5(8)7-6(10)3-2-4-9-7/h2-5,10H,8H2,1H3/t5-/m0/s1
InChIKeyWQORLOPUNCDUFQ-YFKPBYRVSA-N
MW138.17 g/mol
LogP0.81
Rot. Bonds1

About 2-[(1S)-1-aminoethyl]pyridin-3-ol

2-[(1S)-1-aminoethyl]pyridin-3-ol (PubChem CID 96848333) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]pyridin-3-ol
PubChem CID96848333
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-[(1S)-1-aminoethyl]pyridin-3-ol
SMILESC[C@H](N)c1ncccc1O
InChIInChI=1S/C7H10N2O/c1-5(8)7-6(10)3-2-4-9-7/h2-5,10H,8H2,1H3/t5-/m0/s1
InChIKeyWQORLOPUNCDUFQ-YFKPBYRVSA-N
XLogP0.81
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromoethyl)pyridin-3-ol
CID 174581885
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate
CID 90920727
2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile
CID 171869735
2-benzhydrylpyridin-3-ol
CID 125491889
3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide
CID 171898678
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]pyridin-3-ol?
The IUPAC name of 2-[(1S)-1-aminoethyl]pyridin-3-ol (CID 96848333) is 2-[(1S)-1-aminoethyl]pyridin-3-ol.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]pyridin-3-ol?
The canonical SMILES for 2-[(1S)-1-aminoethyl]pyridin-3-ol is C[C@H](N)c1ncccc1O.
What is the InChIKey of 2-[(1S)-1-aminoethyl]pyridin-3-ol?
The InChIKey is WQORLOPUNCDUFQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(8)7-6(10)3-2-4-9-7/h2-5,10H,8H2,1H3/t5-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]pyridin-3-ol?
2-[(1S)-1-aminoethyl]pyridin-3-ol has a molecular weight of 138.17 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]pyridin-3-ol is sourced from PubChem (CID 96848333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).