3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol

C11H13N2O3- — CID 163812479

IUPAC3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol
SMILES[O-]N(O)c1cnccc1C1=CC(O)CCC1
InChIInChI=1S/C11H13N2O3/c14-9-3-1-2-8(6-9)10-4-5-12-7-11(10)13(15)16/h4-7,9,14-15H,1-3H2/q-1
InChIKeyNJEAPYZRXPUJCL-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.70
Rot. Bonds2

About 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol

3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol (PubChem CID 163812479) has the molecular formula C11H13N2O3- and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol
PubChem CID163812479
Molecular FormulaC11H13N2O3-
Molecular Weight221.24 g/mol
Exact Mass221.09
IUPAC Name3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol
SMILES[O-]N(O)c1cnccc1C1=CC(O)CCC1
InChIInChI=1S/C11H13N2O3/c14-9-3-1-2-8(6-9)10-4-5-12-7-11(10)13(15)16/h4-7,9,14-15H,1-3H2/q-1
InChIKeyNJEAPYZRXPUJCL-UHFFFAOYSA-N
XLogP1.70
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol
CID 124565316
3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol
CID 107383540
3-(3-bromofuran-2-yl)cyclohex-2-en-1-ol
CID 65177440
(1R)-3-(5-aminopyrazin-2-yl)cyclohex-2-en-1-ol
CID 125485388
3-phenylcyclohept-2-en-1-ol
CID 15145996
3-(6-methoxy-3-pyridinyl)cyclohex-2-en-1-ol
CID 10822113
3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol
CID 107383636
3-(3-chlorocyclohexen-1-yl)-4-methoxypyridine
CID 130565735
3-[(4-amino-3-pyridinyl)methyl]cyclohept-2-en-1-ol
CID 107383393
(8S)-N,N-dimethyl-5,6,7,8-tetrahydroisoquinolin-8-amine
CID 92846477
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-ol
CID 106784213
3-[2-(2-methoxyethoxy)phenyl]cyclohex-2-en-1-ol
CID 104662829

Frequently Asked Questions

What is the IUPAC name of 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol (CID 163812479) is 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol is [O-]N(O)c1cnccc1C1=CC(O)CCC1.
What is the InChIKey of 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol?
The InChIKey is NJEAPYZRXPUJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2O3/c14-9-3-1-2-8(6-9)10-4-5-12-7-11(10)13(15)16/h4-7,9,14-15H,1-3H2/q-1.
What are the key properties of 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol?
3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol has a molecular weight of 221.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[hydroxy(oxido)amino]-4-pyridinyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 163812479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).