4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde

C8H7F2NO3 — CID 130083465

IUPAC4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde
SMILESCOc1ncc(O)c(C(F)F)c1C=O
InChIInChI=1S/C8H7F2NO3/c1-14-8-4(3-12)6(7(9)10)5(13)2-11-8/h2-3,7,13H,1H3
InChIKeyBMPPDRFBDGNXBX-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.55
Rot. Bonds3

About 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde

4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde (PubChem CID 130083465) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde
PubChem CID130083465
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde
SMILESCOc1ncc(O)c(C(F)F)c1C=O
InChIInChI=1S/C8H7F2NO3/c1-14-8-4(3-12)6(7(9)10)5(13)2-11-8/h2-3,7,13H,1H3
InChIKeyBMPPDRFBDGNXBX-UHFFFAOYSA-N
XLogP1.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.55
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

4-(difluoromethyl)-5-iodo-6-methoxypyridin-3-ol
CID 118824019
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
CID 130076452
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133099508
4-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118807298
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
3-(difluoromethyl)-2,5-dimethoxypyridine-4-sulfonamide
CID 134670782
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130071589

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde (CID 130083465) is 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde is COc1ncc(O)c(C(F)F)c1C=O.
What is the InChIKey of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde?
The InChIKey is BMPPDRFBDGNXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-8-4(3-12)6(7(9)10)5(13)2-11-8/h2-3,7,13H,1H3.
What are the key properties of 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde?
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde has a molecular weight of 203.14 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 130083465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).