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

C8H8F2N2O2 — CID 119020523

IUPAC2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(N)c(C=O)cc1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-14-8-5(6(9)10)2-4(3-13)7(11)12-8/h2-3,6H,1H3,(H2,11,12)
InChIKeyDJYXYWKLEHAPHH-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.42
Rot. Bonds3

About 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde

2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde (PubChem CID 119020523) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
PubChem CID119020523
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(N)c(C=O)cc1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-14-8-5(6(9)10)2-4(3-13)7(11)12-8/h2-3,6H,1H3,(H2,11,12)
InChIKeyDJYXYWKLEHAPHH-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

5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
CID 119023651
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
4-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078106
2-amino-5-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119014492
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde (CID 119020523) is 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde is COc1nc(N)c(C=O)cc1C(F)F.
What is the InChIKey of 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
The InChIKey is DJYXYWKLEHAPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-14-8-5(6(9)10)2-4(3-13)7(11)12-8/h2-3,6H,1H3,(H2,11,12).
What are the key properties of 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde?
2-amino-5-(difluoromethyl)-6-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 2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 119020523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).