3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine

C18H15BrFN3 — CID 176706144

IUPAC3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine
SMILESCc1cc(-c2cc(Br)c(N)nc2-c2cccc(F)c2)cc(C)n1
InChIInChI=1S/C18H15BrFN3/c1-10-6-13(7-11(2)22-10)15-9-16(19)18(21)23-17(15)12-4-3-5-14(20)8-12/h3-9H,1-2H3,(H2,21,23)
InChIKeyOFIWRSSLNMCLTE-UHFFFAOYSA-N
MW372.24 g/mol
LogP4.91
Rot. Bonds2

About 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine

3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine (PubChem CID 176706144) has the molecular formula C18H15BrFN3 and a molecular weight of 372.24 g/mol. Its IUPAC name is 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine
PubChem CID176706144
Molecular FormulaC18H15BrFN3
Molecular Weight372.24 g/mol
Exact Mass371.04
IUPAC Name3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine
SMILESCc1cc(-c2cc(Br)c(N)nc2-c2cccc(F)c2)cc(C)n1
InChIInChI=1S/C18H15BrFN3/c1-10-6-13(7-11(2)22-10)15-9-16(19)18(21)23-17(15)12-4-3-5-14(20)8-12/h3-9H,1-2H3,(H2,21,23)
InChIKeyOFIWRSSLNMCLTE-UHFFFAOYSA-N
XLogP4.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
NOS Inhibitor, 3h
CID 46892701
6-(2-{3-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 46892821
6,6'-(Pyridine-2,6-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46892824
6-(2-{6-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-2-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892825
2-Amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile
CID 711468
MAP Kinase Inhibitor, 7
CID 3394234
2-Amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
CID 917384
6-[2-[4-[2-(6-Amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
CID 46892699
4-(4-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine
CID 46892700
N-(4-bromophenyl)-4-methylquinolin-2-amine
CID 768745
5-Bromo-4,6-dimethylpyridin-2-amine
CID 11030855

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine (CID 176706144) is 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine is Cc1cc(-c2cc(Br)c(N)nc2-c2cccc(F)c2)cc(C)n1.
What is the InChIKey of 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine?
The InChIKey is OFIWRSSLNMCLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3/c1-10-6-13(7-11(2)22-10)15-9-16(19)18(21)23-17(15)12-4-3-5-14(20)8-12/h3-9H,1-2H3,(H2,21,23).
What are the key properties of 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine?
3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine has a molecular weight of 372.24 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 176706144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).