5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile

C13H9BrClN3 — CID 84605251

IUPAC5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1ccc(Cl)cc1Nc1ncc(C#N)cc1Br
InChIInChI=1S/C13H9BrClN3/c1-8-2-3-10(15)5-12(8)18-13-11(14)4-9(6-16)7-17-13/h2-5,7H,1H3,(H,17,18)
InChIKeyHXTNAPHUPDYYES-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.42
Rot. Bonds2

About 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile

5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile (PubChem CID 84605251) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile
PubChem CID84605251
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile
SMILESCc1ccc(Cl)cc1Nc1ncc(C#N)cc1Br
InChIInChI=1S/C13H9BrClN3/c1-8-2-3-10(15)5-12(8)18-13-11(14)4-9(6-16)7-17-13/h2-5,7H,1H3,(H,17,18)
InChIKeyHXTNAPHUPDYYES-UHFFFAOYSA-N
XLogP4.42
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(5-chloro-2-methylanilino)benzonitrile
CID 102815186
3-[(3-bromo-2-pyridinyl)amino]-4-methylbenzonitrile
CID 62103790
5-amino-6-(5-chloro-2-cyanoanilino)pyridine-3-carbonitrile
CID 103468593
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-fluorobenzonitrile
CID 105368036
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375615
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359
5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
CID 69074354
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
4-[[5-(5-chloro-2-methylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112966314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile (CID 84605251) is 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile is Cc1ccc(Cl)cc1Nc1ncc(C#N)cc1Br.
What is the InChIKey of 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile?
The InChIKey is HXTNAPHUPDYYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-8-2-3-10(15)5-12(8)18-13-11(14)4-9(6-16)7-17-13/h2-5,7H,1H3,(H,17,18).
What are the key properties of 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile?
5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile has a molecular weight of 322.59 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(5-chloro-2-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 84605251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).