5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile

C11H13BrN2O — CID 76848523

IUPAC5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile
SMILESCCC(CC)Oc1ncc(Br)cc1C#N
InChIInChI=1S/C11H13BrN2O/c1-3-10(4-2)15-11-8(6-13)5-9(12)7-14-11/h5,7,10H,3-4H2,1-2H3
InChIKeyONPCXFUWQBSDAO-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.28
Rot. Bonds4

About 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile

5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile (PubChem CID 76848523) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile
PubChem CID76848523
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile
SMILESCCC(CC)Oc1ncc(Br)cc1C#N
InChIInChI=1S/C11H13BrN2O/c1-3-10(4-2)15-11-8(6-13)5-9(12)7-14-11/h5,7,10H,3-4H2,1-2H3
InChIKeyONPCXFUWQBSDAO-UHFFFAOYSA-N
XLogP3.28
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-pentan-3-yloxybenzonitrile
CID 83146232
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 76848522
5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
CID 66276281
5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile
CID 60921731
2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile
CID 131192874
5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
CID 82341796
2-ethoxy-5-sulfanylpyridine-3-carbonitrile
CID 137495290
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706
5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile
CID 130428868
2-methoxy-5-propylpyridine-3-carbonitrile
CID 146366204
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
5-bromo-2-propan-2-yloxy-3-propoxypyridine
CID 76848560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile (CID 76848523) is 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile is CCC(CC)Oc1ncc(Br)cc1C#N.
What is the InChIKey of 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile?
The InChIKey is ONPCXFUWQBSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-3-10(4-2)15-11-8(6-13)5-9(12)7-14-11/h5,7,10H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile?
5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile has a molecular weight of 269.14 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 76848523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).