2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium

C12H16NOY- — CID 176600372

IUPAC2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESCC(C)c1[c-]cc(OCC2CC2)nc1.[Y]
InChIInChI=1S/C12H16NO.Y/c1-9(2)11-5-6-12(13-7-11)14-8-10-3-4-10;/h6-7,9-10H,3-4,8H2,1-2H3;/q-1;
InChIKeyZYXCDYMMXMOAMN-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.79
Rot. Bonds4

About 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium

2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium (PubChem CID 176600372) has the molecular formula C12H16NOY- and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
PubChem CID176600372
Molecular FormulaC12H16NOY-
Molecular Weight279.17 g/mol
Exact Mass279.03
IUPAC Name2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESCC(C)c1[c-]cc(OCC2CC2)nc1.[Y]
InChIInChI=1S/C12H16NO.Y/c1-9(2)11-5-6-12(13-7-11)14-8-10-3-4-10;/h6-7,9-10H,3-4,8H2,1-2H3;/q-1;
InChIKeyZYXCDYMMXMOAMN-UHFFFAOYSA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(E)-2-[4-(methoxymethyl)cyclohexa-2,4-dien-1-yl]ethenyl]prop-2-enimidate
CID 144217005
2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;ethane;yttrium
CID 168176142
2-(oxan-4-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 168176272
5-ethyl-2-(oxolan-3-ylmethoxy)-4H-pyridin-4-ide;yttrium
CID 168176345
2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 168176386
5-ethyl-2-(oxan-4-ylmethoxy)-4H-pyridin-4-ide;yttrium
CID 172337074
2-(3,6-dihydro-2H-pyran-4-yl)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 172337160
6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 176600357
ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-pent-2-enimidate;yttrium
CID 177235139
ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 177235334

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The IUPAC name of 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium (CID 176600372) is 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium is CC(C)c1[c-]cc(OCC2CC2)nc1.[Y].
What is the InChIKey of 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The InChIKey is ZYXCDYMMXMOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO.Y/c1-9(2)11-5-6-12(13-7-11)14-8-10-3-4-10;/h6-7,9-10H,3-4,8H2,1-2H3;/q-1;.
What are the key properties of 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium has a molecular weight of 279.17 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 176600372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).