ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol

C14H24N2O2 — CID 176556868

IUPACethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol
SMILESCC.CC.OC1=CCNC(C2C=C(O)C=CN2)=C1
InChIInChI=1S/C10H12N2O2.2C2H6/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;2*1-2/h1-3,5-6,9,11-14H,4H2;2*1-2H3
InChIKeyHOVVCTFMLNMCDC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.90
Rot. Bonds1

About ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol

ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol (PubChem CID 176556868) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol.

Molecular Properties

Compound Nameethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol
PubChem CID176556868
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol
SMILESCC.CC.OC1=CCNC(C2C=C(O)C=CN2)=C1
InChIInChI=1S/C10H12N2O2.2C2H6/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;2*1-2/h1-3,5-6,9,11-14H,4H2;2*1-2H3
InChIKeyHOVVCTFMLNMCDC-UHFFFAOYSA-N
XLogP2.90
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol
CID 145255918
(E)-3-amino-2-[[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]amino]hex-3-en-2-ol
CID 166873786
6-methyl-2-(methylaminomethyl)-1H-pyridin-2-ol
CID 172680975
6-Amino-1-(ethenylamino)cyclohexa-2,4-dien-1-ol;1,6-diaminocyclohexa-2,4-dien-1-ol
CID 60160777
4-[2-(Ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol
CID 145255919
6-(4-Hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol
CID 176556869

Frequently Asked Questions

What is the IUPAC name of ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol?
The IUPAC name of ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol (CID 176556868) is ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol.
What is the SMILES notation for ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol?
The canonical SMILES for ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol is CC.CC.OC1=CCNC(C2C=C(O)C=CN2)=C1.
What is the InChIKey of ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol?
The InChIKey is HOVVCTFMLNMCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.2C2H6/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;2*1-2/h1-3,5-6,9,11-14H,4H2;2*1-2H3.
What are the key properties of ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol?
ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol has a molecular weight of 252.36 g/mol, XLogP of 2.90, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(4-hydroxy-1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-ol is sourced from PubChem (CID 176556868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).