N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine

C12H9BrClFN2 — CID 82766697

IUPACN-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
SMILESCc1ccc(Br)c(Nc2ncc(Cl)cc2F)c1
InChIInChI=1S/C12H9BrClFN2/c1-7-2-3-9(13)11(4-7)17-12-10(15)5-8(14)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyZWGRIQKFWGTDFF-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.69
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine

N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine (PubChem CID 82766697) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
PubChem CID82766697
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC NameN-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
SMILESCc1ccc(Br)c(Nc2ncc(Cl)cc2F)c1
InChIInChI=1S/C12H9BrClFN2/c1-7-2-3-9(13)11(4-7)17-12-10(15)5-8(14)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyZWGRIQKFWGTDFF-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine (CID 82766697) is N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine is Cc1ccc(Br)c(Nc2ncc(Cl)cc2F)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is ZWGRIQKFWGTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c1-7-2-3-9(13)11(4-7)17-12-10(15)5-8(14)6-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine?
N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 315.57 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 82766697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).