3-(6-amino-3-pyridinyl)pentane-1,5-diol

C10H16N2O2 — CID 118045558

IUPAC3-(6-amino-3-pyridinyl)pentane-1,5-diol
SMILESNc1ccc(C(CCO)CCO)cn1
InChIInChI=1S/C10H16N2O2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2,(H2,11,12)
InChIKeySEBBUGZHFGGSMJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.51
Rot. Bonds5

About 3-(6-amino-3-pyridinyl)pentane-1,5-diol

3-(6-amino-3-pyridinyl)pentane-1,5-diol (PubChem CID 118045558) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)pentane-1,5-diol
PubChem CID118045558
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(6-amino-3-pyridinyl)pentane-1,5-diol
SMILESNc1ccc(C(CCO)CCO)cn1
InChIInChI=1S/C10H16N2O2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2,(H2,11,12)
InChIKeySEBBUGZHFGGSMJ-UHFFFAOYSA-N
XLogP0.51
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinepropanol
CID 17861
(2-Aminopyridin-3-yl)methanol
CID 11159325
Ethyl 2-[(6-amino-3-pyridinyl)methyl]-3-propanoylselanylpropanoate
CID 66563231
(6-Aminopyridin-3-yl)methanol
CID 2794829
3-(6-Aminopyridin-3-yl)propanoic acid
CID 18404603
3-Amino-2-[(pyridin-3-yl)methyl]propan-1-ol
CID 24265021
(Z)-5-[6-(methylamino)-3-pyridinyl]pent-4-en-1-ol
CID 49792505
[2-[6-(Methylamino)-3-pyridinyl]phenyl]methanol
CID 49795829
1-(4-Hydroxy-1-phenylbutyl)-3-pyridin-2-ylurea
CID 72002970
Phenethylamine, N-(2-pyridyl)-alpha-hydroxy-, hydrochloride
CID 113821
Cyclohexanemethanol, alpha-((2-pyridylamino)methyl)-, hydrochloride
CID 120888
5-(Propan-2-yl)pyridin-2-amine
CID 17985805

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
The IUPAC name of 3-(6-amino-3-pyridinyl)pentane-1,5-diol (CID 118045558) is 3-(6-amino-3-pyridinyl)pentane-1,5-diol.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
The canonical SMILES for 3-(6-amino-3-pyridinyl)pentane-1,5-diol is Nc1ccc(C(CCO)CCO)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
The InChIKey is SEBBUGZHFGGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-10-2-1-9(7-12-10)8(3-5-13)4-6-14/h1-2,7-8,13-14H,3-6H2,(H2,11,12).
What are the key properties of 3-(6-amino-3-pyridinyl)pentane-1,5-diol?
3-(6-amino-3-pyridinyl)pentane-1,5-diol has a molecular weight of 196.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)pentane-1,5-diol is sourced from PubChem (CID 118045558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).