5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol

C10H12N2O2 — CID 67951284

IUPAC5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol
SMILESNc1ccc(C#CCC(O)CO)cn1
InChIInChI=1S/C10H12N2O2/c11-10-5-4-8(6-12-10)2-1-3-9(14)7-13/h4-6,9,13-14H,3,7H2,(H2,11,12)
InChIKeyUYHGFOKSZGHMJW-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.24
Rot. Bonds2

About 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol

5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol (PubChem CID 67951284) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol
PubChem CID67951284
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol
SMILESNc1ccc(C#CCC(O)CO)cn1
InChIInChI=1S/C10H12N2O2/c11-10-5-4-8(6-12-10)2-1-3-9(14)7-13/h4-6,9,13-14H,3,7H2,(H2,11,12)
InChIKeyUYHGFOKSZGHMJW-UHFFFAOYSA-N
XLogP-0.24
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-pent-1-ynylpyridin-2-amine
CID 118218227
5-(4-methylpent-1-ynyl)pyrimidin-2-amine
CID 171507275
1-(6-amino-3-pyridinyl)ethanol;hydrobromide
CID 142775788
2-[(6-amino-3-pyridinyl)amino]propan-1-ol
CID 43498943
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485289
5-(3-hydroxyprop-1-ynyl)pyridine-2-carbaldehyde
CID 169484844
3-(6-amino-3-pyridinyl)pentane-1,5-diol
CID 118045558
2-methyl-5-pent-1-ynylpyridine
CID 145255201
3-(4-aminophenyl)prop-2-yn-1-ol
CID 23345652
6-(3-aminoprop-1-ynyl)isoquinolin-3-amine
CID 134264358
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoic acid
CID 58072596

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol?
The IUPAC name of 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol (CID 67951284) is 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol?
The canonical SMILES for 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol is Nc1ccc(C#CCC(O)CO)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol?
The InChIKey is UYHGFOKSZGHMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-10-5-4-8(6-12-10)2-1-3-9(14)7-13/h4-6,9,13-14H,3,7H2,(H2,11,12).
What are the key properties of 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol?
5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol has a molecular weight of 192.22 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)pent-4-yne-1,2-diol is sourced from PubChem (CID 67951284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).