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

C8H8F2N2O2 — CID 130106113

IUPAC5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(N)c(C(F)F)nc1C=O
InChIInChI=1S/C8H8F2N2O2/c1-14-6-2-4(11)7(8(9)10)12-5(6)3-13/h2-3,8H,11H2,1H3
InChIKeyXHJMWQHOORZKLO-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.42
Rot. Bonds3

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

5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde (PubChem CID 130106113) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
PubChem CID130106113
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(N)c(C(F)F)nc1C=O
InChIInChI=1S/C8H8F2N2O2/c1-14-6-2-4(11)7(8(9)10)12-5(6)3-13/h2-3,8H,11H2,1H3
InChIKeyXHJMWQHOORZKLO-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)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
6-(difluoromethyl)-2,5-dimethoxypyridin-3-amine
CID 130100784
3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102096
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
2-(difluoromethyl)-6-methoxy-5-methylpyridin-3-amine
CID 130105827
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde?
The IUPAC name of 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde (CID 130106113) is 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde is COc1cc(N)c(C(F)F)nc1C=O.
What is the InChIKey of 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde?
The InChIKey is XHJMWQHOORZKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-14-6-2-4(11)7(8(9)10)12-5(6)3-13/h2-3,8H,11H2,1H3.
What are the key properties of 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde?
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-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 5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 130106113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).