2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde

C12H11FN2O2 — CID 163456623

IUPAC2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde
SMILESCOc1cc(C)c2ncc(F)c(CC=O)c2n1
InChIInChI=1S/C12H11FN2O2/c1-7-5-10(17-2)15-12-8(3-4-16)9(13)6-14-11(7)12/h4-6H,3H2,1-2H3
InChIKeyBLBCPHDFHFMJJY-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde

2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde (PubChem CID 163456623) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde
PubChem CID163456623
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde
SMILESCOc1cc(C)c2ncc(F)c(CC=O)c2n1
InChIInChI=1S/C12H11FN2O2/c1-7-5-10(17-2)15-12-8(3-4-16)9(13)6-14-11(7)12/h4-6H,3H2,1-2H3
InChIKeyBLBCPHDFHFMJJY-UHFFFAOYSA-N
XLogP1.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(2-oxabicyclo[2.2.2]octan-4-yl)carbamate
CID 71151167
5-methoxy-7-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 151212590
2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde
CID 83878785
4-fluoro-6-methoxypyridine-3-carbaldehyde
CID 118434403
5-fluoro-2-methoxypyrimidine-4-carbaldehyde
CID 174555446
3,5-difluoro-4-[[(6-methoxy-2,4-dimethyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 166278015
7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
CID 46835261
7-fluoro-2-methoxy-8-(2-phenylethyl)-1,5-naphthyridine
CID 141180436
5-methoxy-7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 134180935
N-(6-methoxy-2,4-dimethyl-3-pyridinyl)formamide
CID 176936820
ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
CID 66736918
2-(4,6-dimethylpyrimidin-2-yl)acetaldehyde
CID 87170202

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde?
The IUPAC name of 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde (CID 163456623) is 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde?
The canonical SMILES for 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde is COc1cc(C)c2ncc(F)c(CC=O)c2n1.
What is the InChIKey of 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde?
The InChIKey is BLBCPHDFHFMJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-5-10(17-2)15-12-8(3-4-16)9(13)6-14-11(7)12/h4-6H,3H2,1-2H3.
What are the key properties of 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde?
2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde has a molecular weight of 234.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-6-methoxy-8-methyl-1,5-naphthyridin-4-yl)acetaldehyde is sourced from PubChem (CID 163456623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).