4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile

C13H9BrClN3 — CID 104723770

IUPAC4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Br)c(Nc2ccnc(C#N)c2)cc1Cl
InChIInChI=1S/C13H9BrClN3/c1-8-4-11(14)13(6-12(8)15)18-9-2-3-17-10(5-9)7-16/h2-6H,1H3,(H,17,18)
InChIKeyLNWBFBWAXLBPQL-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.42
Rot. Bonds2

About 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile

4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile (PubChem CID 104723770) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
PubChem CID104723770
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Br)c(Nc2ccnc(C#N)c2)cc1Cl
InChIInChI=1S/C13H9BrClN3/c1-8-4-11(14)13(6-12(8)15)18-9-2-3-17-10(5-9)7-16/h2-6H,1H3,(H,17,18)
InChIKeyLNWBFBWAXLBPQL-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-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 102817277
4-(2,5-dichloroanilino)pyridine-2-carbonitrile
CID 62926848
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
4-(2-bromo-5-chloro-4-methylanilino)-3-chlorobenzonitrile
CID 104723763
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
CID 104723788
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
5-amino-2-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 104722313
3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 103469069
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
2-(2-bromo-5-chloro-4-methylanilino)-6-fluorobenzonitrile
CID 104723792

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile (CID 104723770) is 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile is Cc1cc(Br)c(Nc2ccnc(C#N)c2)cc1Cl.
What is the InChIKey of 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
The InChIKey is LNWBFBWAXLBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-8-4-11(14)13(6-12(8)15)18-9-2-3-17-10(5-9)7-16/h2-6H,1H3,(H,17,18).
What are the key properties of 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-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 4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 104723770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).