2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine

C12H12BrN3 — CID 104819732

IUPAC2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2cccnc2Br)cn1
InChIInChI=1S/C12H12BrN3/c1-9-4-5-10(7-15-9)8-16-11-3-2-6-14-12(11)13/h2-7,16H,8H2,1H3
InChIKeyPTHTUHXOWCXQIC-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.16
Rot. Bonds3

About 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine

2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine (PubChem CID 104819732) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
PubChem CID104819732
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2cccnc2Br)cn1
InChIInChI=1S/C12H12BrN3/c1-9-4-5-10(7-15-9)8-16-11-3-2-6-14-12(11)13/h2-7,16H,8H2,1H3
InChIKeyPTHTUHXOWCXQIC-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995375
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfonylaniline
CID 55142270
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
5-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,8-diamine
CID 62996909
6-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,6-diamine
CID 62997443
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
CID 115748626

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine (CID 104819732) is 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine is Cc1ccc(CNc2cccnc2Br)cn1.
What is the InChIKey of 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is PTHTUHXOWCXQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9-4-5-10(7-15-9)8-16-11-3-2-6-14-12(11)13/h2-7,16H,8H2,1H3.
What are the key properties of 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine?
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 278.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 104819732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).