3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile

C11H13BrClN3 — CID 114835463

IUPAC3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H13BrClN3/c1-8(2)16(5-3-4-14)11-10(12)6-9(13)7-15-11/h6-8H,3,5H2,1-2H3
InChIKeyHUOXLVIDRYLJRL-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.63
Rot. Bonds4

About 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile

3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile (PubChem CID 114835463) has the molecular formula C11H13BrClN3 and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
PubChem CID114835463
Molecular FormulaC11H13BrClN3
Molecular Weight302.60 g/mol
Exact Mass301.00
IUPAC Name3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H13BrClN3/c1-8(2)16(5-3-4-14)11-10(12)6-9(13)7-15-11/h6-8H,3,5H2,1-2H3
InChIKeyHUOXLVIDRYLJRL-UHFFFAOYSA-N
XLogP3.63
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
3-[(2-amino-6-chloropyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 80735514
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 104507531
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
CID 114838597
5-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 82949133
3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114074352
3-[4-(1-aminoethyl)-2-bromo-N-propan-2-ylanilino]propanenitrile
CID 62910462
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile (CID 114835463) is 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
The InChIKey is HUOXLVIDRYLJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3/c1-8(2)16(5-3-4-14)11-10(12)6-9(13)7-15-11/h6-8H,3,5H2,1-2H3.
What are the key properties of 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile has a molecular weight of 302.60 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 114835463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).