4-amino-1-pyridin-2-ylbutane-1,2-diol

C9H14N2O2 — CID 171880668

IUPAC4-amino-1-pyridin-2-ylbutane-1,2-diol
SMILESNCCC(O)C(O)c1ccccn1
InChIInChI=1S/C9H14N2O2/c10-5-4-8(12)9(13)7-3-1-2-6-11-7/h1-3,6,8-9,12-13H,4-5,10H2
InChIKeyCRTDHWAELSZJAC-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.18
Rot. Bonds4

About 4-amino-1-pyridin-2-ylbutane-1,2-diol

4-amino-1-pyridin-2-ylbutane-1,2-diol (PubChem CID 171880668) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-amino-1-pyridin-2-ylbutane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-pyridin-2-ylbutane-1,2-diol
PubChem CID171880668
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-amino-1-pyridin-2-ylbutane-1,2-diol
SMILESNCCC(O)C(O)c1ccccn1
InChIInChI=1S/C9H14N2O2/c10-5-4-8(12)9(13)7-3-1-2-6-11-7/h1-3,6,8-9,12-13H,4-5,10H2
InChIKeyCRTDHWAELSZJAC-UHFFFAOYSA-N
XLogP-0.18
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
4-chloro-3-pyridin-2-ylbutan-1-amine
CID 152778918
4-amino-1-quinolin-2-ylbutane-1,2-diol
CID 171881473
2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171881352
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
1-amino-6-phenyl-2-pyridin-2-ylhexan-3-ol
CID 80527008
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-chloro-1-pyridin-2-ylethanol
CID 22145518

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pyridin-2-ylbutane-1,2-diol?
The IUPAC name of 4-amino-1-pyridin-2-ylbutane-1,2-diol (CID 171880668) is 4-amino-1-pyridin-2-ylbutane-1,2-diol.
What is the SMILES notation for 4-amino-1-pyridin-2-ylbutane-1,2-diol?
The canonical SMILES for 4-amino-1-pyridin-2-ylbutane-1,2-diol is NCCC(O)C(O)c1ccccn1.
What is the InChIKey of 4-amino-1-pyridin-2-ylbutane-1,2-diol?
The InChIKey is CRTDHWAELSZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-5-4-8(12)9(13)7-3-1-2-6-11-7/h1-3,6,8-9,12-13H,4-5,10H2.
What are the key properties of 4-amino-1-pyridin-2-ylbutane-1,2-diol?
4-amino-1-pyridin-2-ylbutane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pyridin-2-ylbutane-1,2-diol is sourced from PubChem (CID 171880668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).