4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde

C8H8F2N2O2 — CID 118851864

IUPAC4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
SMILESCOc1c(C(F)F)ncc(C=O)c1N
InChIInChI=1S/C8H8F2N2O2/c1-14-7-5(11)4(3-13)2-12-6(7)8(9)10/h2-3,8H,1H3,(H2,11,12)
InChIKeyBWDJMAFZVGNCFX-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.42
Rot. Bonds3

About 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde

4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde (PubChem CID 118851864) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
PubChem CID118851864
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
SMILESCOc1c(C(F)F)ncc(C=O)c1N
InChIInChI=1S/C8H8F2N2O2/c1-14-7-5(11)4(3-13)2-12-6(7)8(9)10/h2-3,8H,1H3,(H2,11,12)
InChIKeyBWDJMAFZVGNCFX-UHFFFAOYSA-N
XLogP1.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
CID 118800032
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118845258
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
4-bromo-6-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130101766

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde?
The IUPAC name of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde (CID 118851864) is 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde is COc1c(C(F)F)ncc(C=O)c1N.
What is the InChIKey of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde?
The InChIKey is BWDJMAFZVGNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-14-7-5(11)4(3-13)2-12-6(7)8(9)10/h2-3,8H,1H3,(H2,11,12).
What are the key properties of 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde?
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde has a molecular weight of 202.16 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 118851864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).