6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium

C9H12NOY- — CID 176600357

IUPAC6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium
SMILESCOc1cc(C(C)C)[c-]cn1.[Y]
InChIInChI=1S/C9H12NO.Y/c1-7(2)8-4-5-10-9(6-8)11-3;/h5-7H,1-3H3;/q-1;
InChIKeyMHEOLCDNLXCHMU-UHFFFAOYSA-N
MW239.11 g/mol
LogP2.01
Rot. Bonds2

About 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium

6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium (PubChem CID 176600357) has the molecular formula C9H12NOY- and a molecular weight of 239.11 g/mol. Its IUPAC name is 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium
PubChem CID176600357
Molecular FormulaC9H12NOY-
Molecular Weight239.11 g/mol
Exact Mass239.00
IUPAC Name6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium
SMILESCOc1cc(C(C)C)[c-]cn1.[Y]
InChIInChI=1S/C9H12NO.Y/c1-7(2)8-4-5-10-9(6-8)11-3;/h5-7H,1-3H3;/q-1;
InChIKeyMHEOLCDNLXCHMU-UHFFFAOYSA-N
XLogP2.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 52.01
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
ethane;6-methoxy-4-methyl-3H-pyridin-3-ide;yttrium
CID 168176209
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
2-[2-(difluoromethoxy)ethoxy]-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 168177047
6-methoxy-4-methyl-3H-pyridin-3-ide;yttrium
CID 172336372
2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 176600372
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
ethane;(5-propan-2-yl-4H-pyridin-4-id-2-yl) (Z)-hex-2-enimidate;yttrium
CID 177235598

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium?
The IUPAC name of 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium (CID 176600357) is 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium is COc1cc(C(C)C)[c-]cn1.[Y].
What is the InChIKey of 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium?
The InChIKey is MHEOLCDNLXCHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO.Y/c1-7(2)8-4-5-10-9(6-8)11-3;/h5-7H,1-3H3;/q-1;.
What are the key properties of 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium?
6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium has a molecular weight of 239.11 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 176600357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).