2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile

C10H12BrN3 — CID 131735909

IUPAC2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile
SMILESCCC(C)(C#N)Nc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3/c1-3-10(2,7-12)14-9-5-4-8(11)6-13-9/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyHYHKWOSYKZHJQA-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.95
Rot. Bonds3

About 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile

2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile (PubChem CID 131735909) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile
PubChem CID131735909
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile
SMILESCCC(C)(C#N)Nc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN3/c1-3-10(2,7-12)14-9-5-4-8(11)6-13-9/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyHYHKWOSYKZHJQA-UHFFFAOYSA-N
XLogP2.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-bromo-2-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165583
N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251417
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylpentanenitrile
CID 64709430
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
CID 115642455
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186
2-(4-bromoanilino)-2-methylheptanenitrile
CID 80557269
5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine
CID 143540413
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile (CID 131735909) is 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile is CCC(C)(C#N)Nc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile?
The InChIKey is HYHKWOSYKZHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-3-10(2,7-12)14-9-5-4-8(11)6-13-9/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile?
2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile has a molecular weight of 254.13 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)amino]-2-methylbutanenitrile is sourced from PubChem (CID 131735909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).