6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine

C22H17BrClN3 — CID 11619032

IUPAC6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(Br)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C22H17BrClN3/c23-16-10-8-15(9-11-16)20-12-13-21(18-5-1-2-6-19(18)24)27(20)14-17-4-3-7-22(25)26-17/h1-13H,14H2,(H2,25,26)
InChIKeyCHKLDEBMQGKDIA-UHFFFAOYSA-N
MW438.76 g/mol
LogP6.26
Rot. Bonds4

About 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine

6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine (PubChem CID 11619032) has the molecular formula C22H17BrClN3 and a molecular weight of 438.76 g/mol. Its IUPAC name is 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine
PubChem CID11619032
Molecular FormulaC22H17BrClN3
Molecular Weight438.76 g/mol
Exact Mass437.03
IUPAC Name6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(Cn2c(-c3ccc(Br)cc3)ccc2-c2ccccc2Cl)n1
InChIInChI=1S/C22H17BrClN3/c23-16-10-8-15(9-11-16)20-12-13-21(18-5-1-2-6-19(18)24)27(20)14-17-4-3-7-22(25)26-17/h1-13H,14H2,(H2,25,26)
InChIKeyCHKLDEBMQGKDIA-UHFFFAOYSA-N
XLogP6.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.76
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine (CID 11619032) is 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine is Nc1cccc(Cn2c(-c3ccc(Br)cc3)ccc2-c2ccccc2Cl)n1.
What is the InChIKey of 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
The InChIKey is CHKLDEBMQGKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClN3/c23-16-10-8-15(9-11-16)20-12-13-21(18-5-1-2-6-19(18)24)27(20)14-17-4-3-7-22(25)26-17/h1-13H,14H2,(H2,25,26).
What are the key properties of 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine?
6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine has a molecular weight of 438.76 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 11619032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).