(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine

C12H9Br2FN2 — CID 113398572

IUPAC(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C12H9Br2FN2/c13-8-5-10(14)12(17-6-8)11(16)7-2-1-3-9(15)4-7/h1-6,11H,16H2
InChIKeyDLGABJKQAFFIFU-UHFFFAOYSA-N
MW360.02 g/mol
LogP3.79
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine

(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine (PubChem CID 113398572) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
PubChem CID113398572
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1ncc(Br)cc1Br
InChIInChI=1S/C12H9Br2FN2/c13-8-5-10(14)12(17-6-8)11(16)7-2-1-3-9(15)4-7/h1-6,11H,16H2
InChIKeyDLGABJKQAFFIFU-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
CID 116545102
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
(3-fluorophenyl)-(1,3-oxazol-2-yl)methanamine
CID 164552922
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881964
[2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethyl]hydrazine
CID 105268470
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646291
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine (CID 113398572) is (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine is NC(c1cccc(F)c1)c1ncc(Br)cc1Br.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine?
The InChIKey is DLGABJKQAFFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-8-5-10(14)12(17-6-8)11(16)7-2-1-3-9(15)4-7/h1-6,11H,16H2.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine?
(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine has a molecular weight of 360.02 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine is sourced from PubChem (CID 113398572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).