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

C13H14BrN3O — CID 86814617

IUPAC5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine
SMILESCCOc1cccc(CNc2ccc(Br)cn2)n1
InChIInChI=1S/C13H14BrN3O/c1-2-18-13-5-3-4-11(17-13)9-16-12-7-6-10(14)8-15-12/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyMDRPQIYHKZFTDY-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.25
Rot. Bonds5

About 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine

5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine (PubChem CID 86814617) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine
PubChem CID86814617
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine
SMILESCCOc1cccc(CNc2ccc(Br)cn2)n1
InChIInChI=1S/C13H14BrN3O/c1-2-18-13-5-3-4-11(17-13)9-16-12-7-6-10(14)8-15-12/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyMDRPQIYHKZFTDY-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-6-ethylpyridine
CID 58662042
N-[(5-bromo-2-fluorophenyl)methyl]-6-ethoxypyridin-2-amine
CID 63590046
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
2-ethoxy-6-propylpyridine
CID 166041245
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364
5-bromo-N-(2-ethoxypropyl)pyridin-2-amine
CID 115658186
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
5-bromo-N-(naphthalen-2-ylmethyl)pyridin-2-amine
CID 115146732
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine (CID 86814617) is 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine is CCOc1cccc(CNc2ccc(Br)cn2)n1.
What is the InChIKey of 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is MDRPQIYHKZFTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-18-13-5-3-4-11(17-13)9-16-12-7-6-10(14)8-15-12/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine?
5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 86814617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).