5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile

C10H6BrN5 — CID 134512316

IUPAC5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(Br)cn2)cn1
InChIInChI=1S/C10H6BrN5/c11-7-4-14-10(15-5-7)16-9-2-1-8(3-12)13-6-9/h1-2,4-6H,(H,14,15,16)
InChIKeyQHYPWWUUYGKOCZ-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.25
Rot. Bonds2

About 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile

5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 134512316) has the molecular formula C10H6BrN5 and a molecular weight of 276.10 g/mol. Its IUPAC name is 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
PubChem CID134512316
Molecular FormulaC10H6BrN5
Molecular Weight276.10 g/mol
Exact Mass274.98
IUPAC Name5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(Br)cn2)cn1
InChIInChI=1S/C10H6BrN5/c11-7-4-14-10(15-5-7)16-9-2-1-8(3-12)13-6-9/h1-2,4-6H,(H,14,15,16)
InChIKeyQHYPWWUUYGKOCZ-UHFFFAOYSA-N
XLogP2.25
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739
5-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
CID 62707276
5-(2-bromoanilino)pyridine-2-carbonitrile
CID 115487447
5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 139437861
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
5-(2-bromo-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 113320557
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
2-[(5-bromopyrimidin-2-yl)amino]benzonitrile
CID 63874554
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839971
5-[(3-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 154840361

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile (CID 134512316) is 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2ncc(Br)cn2)cn1.
What is the InChIKey of 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is QHYPWWUUYGKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5/c11-7-4-14-10(15-5-7)16-9-2-1-8(3-12)13-6-9/h1-2,4-6H,(H,14,15,16).
What are the key properties of 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile?
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 276.10 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134512316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).