5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine

C14H15BrN2O3 — CID 61374133

IUPAC5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2ccc(Br)cn2)cc(OC)c1OC
InChIInChI=1S/C14H15BrN2O3/c1-18-11-6-10(7-12(19-2)14(11)20-3)17-13-5-4-9(15)8-16-13/h4-8H,1-3H3,(H,16,17)
InChIKeyDKBLRRVPCAIAMD-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.61
Rot. Bonds5

About 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine

5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 61374133) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID61374133
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2ccc(Br)cn2)cc(OC)c1OC
InChIInChI=1S/C14H15BrN2O3/c1-18-11-6-10(7-12(19-2)14(11)20-3)17-13-5-4-9(15)8-16-13/h4-8H,1-3H3,(H,16,17)
InChIKeyDKBLRRVPCAIAMD-UHFFFAOYSA-N
XLogP3.61
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 67203539
5-bromo-N-(3-ethyl-4-methoxyphenyl)pyridin-2-amine
CID 115146469
5-bromo-N-(6-methoxynaphthalen-2-yl)pyridin-2-amine
CID 115146533
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
CID 61373201
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
2-[6-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzaldehyde
CID 126471253
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937
4-bromo-1-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066562
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
CID 113036500
5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 75372885

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 61374133) is 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(Nc2ccc(Br)cn2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is DKBLRRVPCAIAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-18-11-6-10(7-12(19-2)14(11)20-3)17-13-5-4-9(15)8-16-13/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 339.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 61374133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).