(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine

C13H13BrN2 — CID 115799755

IUPAC(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
SMILESCc1ccc(C(N)c2cccnc2)c(Br)c1
InChIInChI=1S/C13H13BrN2/c1-9-4-5-11(12(14)7-9)13(15)10-3-2-6-16-8-10/h2-8,13H,15H2,1H3
InChIKeyWZDUDWGEUVEXPK-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.20
Rot. Bonds2

About (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine

(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine (PubChem CID 115799755) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
PubChem CID115799755
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
SMILESCc1ccc(C(N)c2cccnc2)c(Br)c1
InChIInChI=1S/C13H13BrN2/c1-9-4-5-11(12(14)7-9)13(15)10-3-2-6-16-8-10/h2-8,13H,15H2,1H3
InChIKeyWZDUDWGEUVEXPK-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799700
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
[1-(2-bromo-4-methylphenyl)-2-pyridin-3-ylethyl]hydrazine
CID 105333676
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
CID 171221689
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285
[(2-chloro-4-methylphenyl)-pyridin-3-ylmethyl]hydrazine
CID 106859713
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(6-methyl-[1,2,4]triazolo[1,5-b]pyridazin-8-yl)-pyridin-3-ylmethanamine
CID 21158946

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine (CID 115799755) is (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine is Cc1ccc(C(N)c2cccnc2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine?
The InChIKey is WZDUDWGEUVEXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9-4-5-11(12(14)7-9)13(15)10-3-2-6-16-8-10/h2-8,13H,15H2,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine?
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine has a molecular weight of 277.17 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 115799755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).