(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine

C13H13BrN2 — CID 115374409

IUPAC(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccccc2Br)c1
InChIInChI=1S/C13H13BrN2/c1-9-6-10(8-16-7-9)13(15)11-4-2-3-5-12(11)14/h2-8,13H,15H2,1H3
InChIKeyUCXJAXABBZOLIM-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.20
Rot. Bonds2

About (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine

(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine (PubChem CID 115374409) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
PubChem CID115374409
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
SMILESCc1cncc(C(N)c2ccccc2Br)c1
InChIInChI=1S/C13H13BrN2/c1-9-6-10(8-16-7-9)13(15)11-4-2-3-5-12(11)14/h2-8,13H,15H2,1H3
InChIKeyUCXJAXABBZOLIM-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-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
(5-bromothiophen-3-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105173903
(5-methyl-3-pyridinyl)-quinolin-4-ylmethanamine
CID 105173960
(5-methyl-3-pyridinyl)-(2-methylquinolin-4-yl)methanamine
CID 105173927
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299
(5-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297192
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
(6-bromonaphthalen-2-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105023264
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine (CID 115374409) is (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine is Cc1cncc(C(N)c2ccccc2Br)c1.
What is the InChIKey of (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is UCXJAXABBZOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-9-6-10(8-16-7-9)13(15)11-4-2-3-5-12(11)14/h2-8,13H,15H2,1H3.
What are the key properties of (2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine?
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine 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-bromophenyl)-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115374409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).