5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile

C11H14BrN3 — CID 82341796

IUPAC5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
SMILESCC(C)CCNc1ncc(Br)cc1C#N
InChIInChI=1S/C11H14BrN3/c1-8(2)3-4-14-11-9(6-13)5-10(12)7-15-11/h5,7-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyPPKYBPGVVONQMZ-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.17
Rot. Bonds4

About 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile

5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile (PubChem CID 82341796) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
PubChem CID82341796
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
SMILESCC(C)CCNc1ncc(Br)cc1C#N
InChIInChI=1S/C11H14BrN3/c1-8(2)3-4-14-11-9(6-13)5-10(12)7-15-11/h5,7-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyPPKYBPGVVONQMZ-UHFFFAOYSA-N
XLogP3.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 76848522
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile
CID 82341774
5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile
CID 159674175
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile (CID 82341796) is 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile is CC(C)CCNc1ncc(Br)cc1C#N.
What is the InChIKey of 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile?
The InChIKey is PPKYBPGVVONQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-8(2)3-4-14-11-9(6-13)5-10(12)7-15-11/h5,7-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile?
5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile has a molecular weight of 268.16 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82341796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).