2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile

C17H11BrN4 — CID 164912208

IUPAC2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1Nc1cc(Br)ccn1
InChIInChI=1S/C17H11BrN4/c18-13-6-8-20-16(10-13)22-17-15(11-19)14(7-9-21-17)12-4-2-1-3-5-12/h1-10H,(H,20,21,22)
InChIKeyPLUGHPRKJNRKRZ-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.52
Rot. Bonds3

About 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile

2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile (PubChem CID 164912208) has the molecular formula C17H11BrN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile
PubChem CID164912208
Molecular FormulaC17H11BrN4
Molecular Weight351.21 g/mol
Exact Mass350.02
IUPAC Name2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1Nc1cc(Br)ccn1
InChIInChI=1S/C17H11BrN4/c18-13-6-8-20-16(10-13)22-17-15(11-19)14(7-9-21-17)12-4-2-1-3-5-12/h1-10H,(H,20,21,22)
InChIKeyPLUGHPRKJNRKRZ-UHFFFAOYSA-N
XLogP4.52
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile (CID 164912208) is 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)ccnc1Nc1cc(Br)ccn1.
What is the InChIKey of 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile?
The InChIKey is PLUGHPRKJNRKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4/c18-13-6-8-20-16(10-13)22-17-15(11-19)14(7-9-21-17)12-4-2-1-3-5-12/h1-10H,(H,20,21,22).
What are the key properties of 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile?
2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile has a molecular weight of 351.21 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-pyridinyl)amino]-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).