3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine

C12H9BrClFN2 — CID 105368107

IUPAC3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClFN2/c1-7-5-8(13)12(16-6-7)17-11-9(14)3-2-4-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeySBKBIKIFVIYYSU-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.69
Rot. Bonds2

About 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine

3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine (PubChem CID 105368107) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine
PubChem CID105368107
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC Name3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2c(F)cccc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClFN2/c1-7-5-8(13)12(16-6-7)17-11-9(14)3-2-4-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeySBKBIKIFVIYYSU-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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Related Compounds

3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
5-bromo-4-N-(2-chloro-6-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114072824
3-bromo-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 114837355
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
CID 107607834
3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 58028170
3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
CID 105367742
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-fluorobenzonitrile
CID 105368036

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine (CID 105368107) is 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine is Cc1cnc(Nc2c(F)cccc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine?
The InChIKey is SBKBIKIFVIYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c1-7-5-8(13)12(16-6-7)17-11-9(14)3-2-4-10(11)15/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine?
3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-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 3-bromo-N-(2-chloro-6-fluorophenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105368107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).