5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile

C11H14BrN3 — CID 76848522

IUPAC5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(CC)Nc1ncc(Br)cc1C#N
InChIInChI=1S/C11H14BrN3/c1-3-10(4-2)15-11-8(6-13)5-9(12)7-14-11/h5,7,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyFTHFVYQAHHLSMB-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.32
Rot. Bonds4

About 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile

5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile (PubChem CID 76848522) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
PubChem CID76848522
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(CC)Nc1ncc(Br)cc1C#N
InChIInChI=1S/C11H14BrN3/c1-3-10(4-2)15-11-8(6-13)5-9(12)7-14-11/h5,7,10H,3-4H2,1-2H3,(H,14,15)
InChIKeyFTHFVYQAHHLSMB-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-nitro-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 60678708
5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
CID 82341796
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile
CID 76848523
2-(hex-5-yn-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 115657892
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506
3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231623
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
5-bromo-2-(1-hydroxybutan-2-ylamino)benzonitrile
CID 114893688
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile (CID 76848522) is 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile is CCC(CC)Nc1ncc(Br)cc1C#N.
What is the InChIKey of 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is FTHFVYQAHHLSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-3-10(4-2)15-11-8(6-13)5-9(12)7-14-11/h5,7,10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile?
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 268.16 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 76848522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).