4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine

C16H13BrFN3O2 — CID 177046795

IUPAC4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine
SMILESCNc1ccc2cccnc2n1.O=Cc1cc(O)c(Br)cc1F
InChIInChI=1S/C9H9N3.C7H4BrFO2/c1-10-8-5-4-7-3-2-6-11-9(7)12-8;8-5-2-6(9)4(3-10)1-7(5)11/h2-6H,1H3,(H,10,11,12);1-3,11H
InChIKeyWNVGBJZJBXNSLV-UHFFFAOYSA-N
MW378.20 g/mol
LogP3.78
Rot. Bonds2

About 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine

4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine (PubChem CID 177046795) has the molecular formula C16H13BrFN3O2 and a molecular weight of 378.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine
PubChem CID177046795
Molecular FormulaC16H13BrFN3O2
Molecular Weight378.20 g/mol
Exact Mass377.02
IUPAC Name4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine
SMILESCNc1ccc2cccnc2n1.O=Cc1cc(O)c(Br)cc1F
InChIInChI=1S/C9H9N3.C7H4BrFO2/c1-10-8-5-4-7-3-2-6-11-9(7)12-8;8-5-2-6(9)4(3-10)1-7(5)11/h2-6H,1H3,(H,10,11,12);1-3,11H
InChIKeyWNVGBJZJBXNSLV-UHFFFAOYSA-N
XLogP3.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine
CID 177047131
6-(azetidin-3-yloxy)-5-bromopyridine-2-carbaldehyde;N-methyl-1,8-naphthyridin-2-amine
CID 177047363
N-(1,8-naphthyridin-2-yl)-1,8-naphthyridin-2-amine
CID 45117995
sodium N-(1,8-naphthyridin-2-yl)nitrous amide
CID 54607944
3-hydroxy-6-(methylamino)pyridine-2-carbaldehyde
CID 169175299
5-bromo-4-methyl-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-3-carboxamide
CID 177046812
2-aminopyridine-3-carbaldehyde;methane;2-methyl-1,8-naphthyridine;propan-2-one
CID 160775686
4-bromo-3-[2-(dimethylamino)ethoxy]-N-(1,8-naphthyridin-2-yl)benzamide
CID 177047470
(2,6-dibromophenyl)boronic acid;1,8-naphthyridine
CID 139125201
[(Z)-[(Z)-4-amino-4-(3,4-difluoro-5-methylphenyl)-1-(1,8-naphthyridin-2-ylamino)-1-oxobut-3-en-2-ylidene]amino] thiohypofluorite
CID 177047281
5-fluoro-4-formyl-2-hydroxybenzoic acid
CID 170993880
4-bromo-5-ethyl-2-fluorobenzaldehyde
CID 139490493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The IUPAC name of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine (CID 177046795) is 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine.
What is the SMILES notation for 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The canonical SMILES for 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine is CNc1ccc2cccnc2n1.O=Cc1cc(O)c(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
The InChIKey is WNVGBJZJBXNSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C7H4BrFO2/c1-10-8-5-4-7-3-2-6-11-9(7)12-8;8-5-2-6(9)4(3-10)1-7(5)11/h2-6H,1H3,(H,10,11,12);1-3,11H.
What are the key properties of 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine?
4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine has a molecular weight of 378.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-hydroxybenzaldehyde;N-methyl-1,8-naphthyridin-2-amine is sourced from PubChem (CID 177046795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).