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

C7H6F2N2O2 — CID 118845258

IUPAC4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
SMILESNc1c(C=O)cnc(C(F)F)c1O
InChIInChI=1S/C7H6F2N2O2/c8-7(9)5-6(13)4(10)3(2-12)1-11-5/h1-2,7,13H,(H2,10,11)
InChIKeySFMRJABGMOKQGN-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.12
Rot. Bonds2

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

4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde (PubChem CID 118845258) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
PubChem CID118845258
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
SMILESNc1c(C=O)cnc(C(F)F)c1O
InChIInChI=1S/C7H6F2N2O2/c8-7(9)5-6(13)4(10)3(2-12)1-11-5/h1-2,7,13H,(H2,10,11)
InChIKeySFMRJABGMOKQGN-UHFFFAOYSA-N
XLogP1.12
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130104215
5-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 130104885
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118851864
6-amino-4-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 130104859
6-(difluoromethyl)-4,5-difluoropyridine-3-carbaldehyde
CID 130099857
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118801124
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
5-amino-4-chloro-2-(difluoromethyl)pyridin-3-ol
CID 130102480
4-bromo-5-chloro-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 118811578
4-chloro-6-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118822221

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
The IUPAC name of 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde (CID 118845258) is 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
The canonical SMILES for 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde is Nc1c(C=O)cnc(C(F)F)c1O.
What is the InChIKey of 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
The InChIKey is SFMRJABGMOKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-7(9)5-6(13)4(10)3(2-12)1-11-5/h1-2,7,13H,(H2,10,11).
What are the key properties of 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde?
4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde has a molecular weight of 188.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde is sourced from PubChem (CID 118845258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).