5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile

C10H12BrN3 — CID 76847706

IUPAC5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
SMILESCC(C)(C)Nc1ncc(Br)cc1C#N
InChIInChI=1S/C10H12BrN3/c1-10(2,3)14-9-7(5-12)4-8(11)6-13-9/h4,6H,1-3H3,(H,13,14)
InChIKeyKQMZZAOXSGDLKU-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile

5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile (PubChem CID 76847706) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
PubChem CID76847706
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
SMILESCC(C)(C)Nc1ncc(Br)cc1C#N
InChIInChI=1S/C10H12BrN3/c1-10(2,3)14-9-7(5-12)4-8(11)6-13-9/h4,6H,1-3H3,(H,13,14)
InChIKeyKQMZZAOXSGDLKU-UHFFFAOYSA-N
XLogP2.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
CID 82341796
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 76848522
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile
CID 82341774
2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 155162232
5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile
CID 76848539
2-(tert-butylamino)pyridine-3,4-dicarbonitrile
CID 10442777
2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
CID 138475559
5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 107845850
5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
CID 54860748
5-bromo-2-[4-(methylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 76848485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile (CID 76847706) is 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile is CC(C)(C)Nc1ncc(Br)cc1C#N.
What is the InChIKey of 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile?
The InChIKey is KQMZZAOXSGDLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-10(2,3)14-9-7(5-12)4-8(11)6-13-9/h4,6H,1-3H3,(H,13,14).
What are the key properties of 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile?
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile has a molecular weight of 254.13 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 76847706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).