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

C12H12BrN3O — CID 58259421

IUPAC5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
SMILESCOc1ncccc1CNc1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3O/c1-17-12-9(3-2-6-14-12)7-15-11-5-4-10(13)8-16-11/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyCRTQAONYSITGNU-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.86
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine

5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 58259421) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
PubChem CID58259421
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
SMILESCOc1ncccc1CNc1ccc(Br)cn1
InChIInChI=1S/C12H12BrN3O/c1-17-12-9(3-2-6-14-12)7-15-11-5-4-10(13)8-16-11/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyCRTQAONYSITGNU-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820
3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 121205932
5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 75372885
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 79399734
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
CID 115146686
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55698371
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine (CID 58259421) is 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine is COc1ncccc1CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is CRTQAONYSITGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-12-9(3-2-6-14-12)7-15-11-5-4-10(13)8-16-11/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine?
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 58259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).