CID 59434614

C8H11N2O3 — CID 59434614

IUPAC—
SMILESOCC1[C@H](O)[C@H](O)[CH]c2nccn21
InChIInChI=1S/C8H11N2O3/c11-4-5-8(13)6(12)3-7-9-1-2-10(5)7/h1-3,5-6,8,11-13H,4H2/t5?,6-,8+/m1/s1
InChIKeyAUVHFNMFFDVIDT-KGVBDCLMSA-N
MW183.19 g/mol
LogP-1.30
Rot. Bonds1

About CID 59434614

CID 59434614 (PubChem CID 59434614) has the molecular formula C8H11N2O3 and a molecular weight of 183.19 g/mol.

Molecular Properties

Compound NameCID 59434614
PubChem CID59434614
Molecular FormulaC8H11N2O3
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name—
SMILESOCC1[C@H](O)[C@H](O)[CH]c2nccn21
InChIInChI=1S/C8H11N2O3/c11-4-5-8(13)6(12)3-7-9-1-2-10(5)7/h1-3,5-6,8,11-13H,4H2/t5?,6-,8+/m1/s1
InChIKeyAUVHFNMFFDVIDT-KGVBDCLMSA-N
XLogP-1.30
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazole-Derived Cellobiose
CID 657137
(5r,6r,7s,8r)-5-(Hydroxymethyl)-5,6,7,8-Tetrahydroimidazo[1,2-A]pyridine-6,7,8-Triol
CID 10013016
(5R,6R,7S,8S)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10130386
5-(Hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 69323450
(6S,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10464728
5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-ol
CID 10374525
Xylose-Derived Imidazole
CID 445615
(2R,3S,4S,5S,6R)-2-[[(5R,6R,7R,8R)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102234346
5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-ol
CID 25209172
5H,6H,7H,8H-imidazo[1,2-a]pyridin-7-ol
CID 84648339
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-5-yl}methanol
CID 117155074
(5S,6S,7R,8R)-5-(Hydroxymethyl)-1,5,6,7,8,8A-hexahydroimidazo[1,2-A]pyridine-6,7,8-triol
CID 49867039

Frequently Asked Questions

What is the IUPAC name of CID 59434614?
The IUPAC name of CID 59434614 (CID 59434614) is not available.
What is the SMILES notation for CID 59434614?
The canonical SMILES for CID 59434614 is OCC1[C@H](O)[C@H](O)[CH]c2nccn21.
What is the InChIKey of CID 59434614?
The InChIKey is AUVHFNMFFDVIDT-KGVBDCLMSA-N. The full InChI is InChI=1S/C8H11N2O3/c11-4-5-8(13)6(12)3-7-9-1-2-10(5)7/h1-3,5-6,8,11-13H,4H2/t5?,6-,8+/m1/s1.
What are the key properties of CID 59434614?
CID 59434614 has a molecular weight of 183.19 g/mol, XLogP of -1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59434614 is sourced from PubChem (CID 59434614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).