5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium

C10H13BrNY- — CID 161309551

IUPAC5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1CCC.[Y]
InChIInChI=1S/C10H13BrN.Y/c1-4-5-12-7-8(2)6-10(11)9(12)3;/h6H,3-5H2,1-2H3;/q-1;
InChIKeyCXRVTGPCODHQOZ-UHFFFAOYSA-N
MW316.03 g/mol
LogP3.21
Rot. Bonds2

About 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium

5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium (PubChem CID 161309551) has the molecular formula C10H13BrNY- and a molecular weight of 316.03 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium
PubChem CID161309551
Molecular FormulaC10H13BrNY-
Molecular Weight316.03 g/mol
Exact Mass314.93
IUPAC Name5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium
SMILESC=C1C(Br)=CC(C)=[C-]N1CCC.[Y]
InChIInChI=1S/C10H13BrN.Y/c1-4-5-12-7-8(2)6-10(11)9(12)3;/h6H,3-5H2,1-2H3;/q-1;
InChIKeyCXRVTGPCODHQOZ-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.03
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-fluoro-2-methyl-1-(3-methylbut-2-en-2-yl)-2H-pyridine
CID 155130356
5-bromo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 161297791
1,5-Dimethyl-6-methylidene-2,3-dihydropyridine
CID 57786338
N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)
CID 58625893
(2Z)-2-[(Z)-1-bromobut-2-enylidene]-3-methylidene-1-prop-2-enylpyrrole
CID 88866359
5-Bromo-1,3-dimethyl-2-methylidenepyridine
CID 132152152
3-bromo-1-methyl-2-methylidene-6-prop-1-en-2-yl-7,8-dihydro-5H-1,6-naphthyridine
CID 132181693
4-bromo-1,5,6-trimethyl-2H-pyridine
CID 141279725
(2Z)-5-bromo-1,3-dimethyl-2-prop-2-enylidenepyridine
CID 143938742
(3E)-5-bromo-N,N,2-trimethylhexa-1,3,5-trien-3-amine;ethane
CID 144534702
(2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole
CID 144758790
5-fluoro-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium
CID 148339962

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium (CID 161309551) is 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium is C=C1C(Br)=CC(C)=[C-]N1CCC.[Y].
What is the InChIKey of 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium?
The InChIKey is CXRVTGPCODHQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN.Y/c1-4-5-12-7-8(2)6-10(11)9(12)3;/h6H,3-5H2,1-2H3;/q-1;.
What are the key properties of 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium?
5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium has a molecular weight of 316.03 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-methylidene-1-propyl-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 161309551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).