5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine

C14H14BrF2N3 — CID 118249147

IUPAC5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncc(Br)cc1CNc1ccc(F)cc1F
InChIInChI=1S/C14H14BrF2N3/c1-20(2)14-9(5-10(15)8-19-14)7-18-13-4-3-11(16)6-12(13)17/h3-6,8,18H,7H2,1-2H3
InChIKeyATAIQWNXXIQYCD-UHFFFAOYSA-N
MW342.19 g/mol
LogP3.80
Rot. Bonds4

About 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine

5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 118249147) has the molecular formula C14H14BrF2N3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine
PubChem CID118249147
Molecular FormulaC14H14BrF2N3
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncc(Br)cc1CNc1ccc(F)cc1F
InChIInChI=1S/C14H14BrF2N3/c1-20(2)14-9(5-10(15)8-19-14)7-18-13-4-3-11(16)6-12(13)17/h3-6,8,18H,7H2,1-2H3
InChIKeyATAIQWNXXIQYCD-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
CID 114051986
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
CID 114064009
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
CID 104921572
2-[[(5-bromo-2-chloro-3-pyridinyl)amino]methyl]-4-fluorophenol
CID 114051995
5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796139
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096855
1-(5-bromo-3-methyl-2-pyridinyl)-3-(2,4-difluorophenyl)thiourea
CID 1241524
3-[5-bromo-2-(dimethylamino)-3-pyridinyl]propanal
CID 138671295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine (CID 118249147) is 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ncc(Br)cc1CNc1ccc(F)cc1F.
What is the InChIKey of 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is ATAIQWNXXIQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3/c1-20(2)14-9(5-10(15)8-19-14)7-18-13-4-3-11(16)6-12(13)17/h3-6,8,18H,7H2,1-2H3.
What are the key properties of 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine?
5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 342.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2,4-difluoroanilino)methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 118249147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).