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

C12H12BrN3 — CID 63961124

IUPAC6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cccc(CNc2cccc(Br)n2)n1
InChIInChI=1S/C12H12BrN3/c1-9-4-2-5-10(15-9)8-14-12-7-3-6-11(13)16-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyVPZFAUQYUMWCSG-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.16
Rot. Bonds3

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

6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine (PubChem CID 63961124) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
PubChem CID63961124
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cccc(CNc2cccc(Br)n2)n1
InChIInChI=1S/C12H12BrN3/c1-9-4-2-5-10(15-9)8-14-12-7-3-6-11(13)16-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyVPZFAUQYUMWCSG-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

3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridazin-3-amine
CID 106549703
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79266900
4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267494
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
6-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 55057435
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine (CID 63961124) is 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine is Cc1cccc(CNc2cccc(Br)n2)n1.
What is the InChIKey of 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is VPZFAUQYUMWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9-4-2-5-10(15-9)8-14-12-7-3-6-11(13)16-12/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine?
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-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 6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63961124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).