3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine

C13H13BrN2O — CID 104778246

IUPAC3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
SMILESCOCc1cccc(Nc2ccncc2Br)c1
InChIInChI=1S/C13H13BrN2O/c1-17-9-10-3-2-4-11(7-10)16-13-5-6-15-8-12(13)14/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKJSBTSUQZAHQCW-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.73
Rot. Bonds4

About 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine

3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine (PubChem CID 104778246) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
PubChem CID104778246
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
SMILESCOCc1cccc(Nc2ccncc2Br)c1
InChIInChI=1S/C13H13BrN2O/c1-17-9-10-3-2-4-11(7-10)16-13-5-6-15-8-12(13)14/h2-8H,9H2,1H3,(H,15,16)
InChIKeyKJSBTSUQZAHQCW-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-[(3-bromo-4-pyridinyl)amino]benzonitrile
CID 104777953
5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-(methoxymethyl)phenyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133351038
N-[3-(chloromethyl)phenyl]-3-methylpyridin-4-amine
CID 65027549
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
3-(methoxymethyl)-N-methylaniline
CID 23080905
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507
4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
CID 83004428
2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
CID 54965543
5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 114073042

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine (CID 104778246) is 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine is COCc1cccc(Nc2ccncc2Br)c1.
What is the InChIKey of 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
The InChIKey is KJSBTSUQZAHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-9-10-3-2-4-11(7-10)16-13-5-6-15-8-12(13)14/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine?
3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine has a molecular weight of 293.16 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(methoxymethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 104778246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).