4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine

C16H14BrN3O2 — CID 177047131

IUPAC4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine
SMILESCNc1ccc2cccnc2n1.O=Cc1ccc(Br)c(O)c1
InChIInChI=1S/C9H9N3.C7H5BrO2/c1-10-8-5-4-7-3-2-6-11-9(7)12-8;8-6-2-1-5(4-9)3-7(6)10/h2-6H,1H3,(H,10,11,12);1-4,10H
InChIKeyOARIINVFOLVOQP-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.64
Rot. Bonds2

About 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine

4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine (PubChem CID 177047131) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine
PubChem CID177047131
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine
SMILESCNc1ccc2cccnc2n1.O=Cc1ccc(Br)c(O)c1
InChIInChI=1S/C9H9N3.C7H5BrO2/c1-10-8-5-4-7-3-2-6-11-9(7)12-8;8-6-2-1-5(4-9)3-7(6)10/h2-6H,1H3,(H,10,11,12);1-4,10H
InChIKeyOARIINVFOLVOQP-UHFFFAOYSA-N
XLogP3.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The IUPAC name of 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine (CID 177047131) is 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine.
What is the SMILES notation for 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The canonical SMILES for 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine is CNc1ccc2cccnc2n1.O=Cc1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The InChIKey is OARIINVFOLVOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C7H5BrO2/c1-10-8-5-4-7-3-2-6-11-9(7)12-8;8-6-2-1-5(4-9)3-7(6)10/h2-6H,1H3,(H,10,11,12);1-4,10H.
What are the key properties of 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine has a molecular weight of 360.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine is sourced from PubChem (CID 177047131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).