[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol

C9H10N2OS — CID 169486518

IUPAC[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol
SMILESNc1ncc(C#CCS)cc1CO
InChIInChI=1S/C9H10N2OS/c10-9-8(6-12)4-7(5-11-9)2-1-3-13/h4-5,12-13H,3,6H2,(H2,10,11)
InChIKeyFRKWAFQLXASDDI-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.44
Rot. Bonds1

About [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol

[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol (PubChem CID 169486518) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol
PubChem CID169486518
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol
SMILESNc1ncc(C#CCS)cc1CO
InChIInChI=1S/C9H10N2OS/c10-9-8(6-12)4-7(5-11-9)2-1-3-13/h4-5,12-13H,3,6H2,(H2,10,11)
InChIKeyFRKWAFQLXASDDI-UHFFFAOYSA-N
XLogP0.44
TPSA59.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
3-(2-amino-5-methyl-3-pyridinyl)prop-2-yne-1-thiol
CID 169486185
(4-aminopyrimidin-5-yl)methanol;methane
CID 160757504
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675
[3-(3-sulfanylprop-1-ynyl)phenyl]methanol
CID 169486148
5-(4-aminobut-1-ynyl)-3-bromopyridin-2-amine;dihydrochloride
CID 178024073
[2-(3-sulfanylprop-1-ynyl)phenyl]methanol
CID 169486145
(2-amino-5-cyclopentyl-3-pyridinyl)methanol
CID 115019155
3-(5-amino-2-chloro-3-pyridinyl)prop-2-yne-1-thiol
CID 169486175
5-[(4S)-4-aminopent-1-ynyl]-3-bromopyridin-2-amine
CID 178024170
3-(6-methoxy-5-nitro-3-pyridinyl)prop-2-yne-1-thiol
CID 169487168

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol?
The IUPAC name of [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol (CID 169486518) is [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol is Nc1ncc(C#CCS)cc1CO.
What is the InChIKey of [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol?
The InChIKey is FRKWAFQLXASDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-9-8(6-12)4-7(5-11-9)2-1-3-13/h4-5,12-13H,3,6H2,(H2,10,11).
What are the key properties of [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol?
[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol has a molecular weight of 194.26 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol is sourced from PubChem (CID 169486518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).