1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile

C10H9Br2N3 — CID 45275240

IUPAC1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2c(Br)cncc2Br)C1
InChIInChI=1S/C10H9Br2N3/c11-8-4-14-5-9(12)10(8)15-2-1-7(3-13)6-15/h4-5,7H,1-2,6H2
InChIKeyHKGNNSMRLPWHQD-UHFFFAOYSA-N
MW331.01 g/mol
LogP2.96
Rot. Bonds1

About 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile

1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile (PubChem CID 45275240) has the molecular formula C10H9Br2N3 and a molecular weight of 331.01 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile
PubChem CID45275240
Molecular FormulaC10H9Br2N3
Molecular Weight331.01 g/mol
Exact Mass328.92
IUPAC Name1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(c2c(Br)cncc2Br)C1
InChIInChI=1S/C10H9Br2N3/c11-8-4-14-5-9(12)10(8)15-2-1-7(3-13)6-15/h4-5,7H,1-2,6H2
InChIKeyHKGNNSMRLPWHQD-UHFFFAOYSA-N
XLogP2.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile (CID 45275240) is 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile is N#CC1CCN(c2c(Br)cncc2Br)C1.
What is the InChIKey of 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile?
The InChIKey is HKGNNSMRLPWHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3/c11-8-4-14-5-9(12)10(8)15-2-1-7(3-13)6-15/h4-5,7H,1-2,6H2.
What are the key properties of 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile?
1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile has a molecular weight of 331.01 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-pyridinyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 45275240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).