4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde

C8H8F2N2O2 — CID 118812276

IUPAC4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
SMILESNCc1c(C(F)F)cnc(C=O)c1O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)5-2-12-6(3-13)7(14)4(5)1-11/h2-3,8,14H,1,11H2
InChIKeyHHTOLUSVKCBLNA-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.00
Rot. Bonds3

About 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde

4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde (PubChem CID 118812276) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
PubChem CID118812276
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
SMILESNCc1c(C(F)F)cnc(C=O)c1O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)5-2-12-6(3-13)7(14)4(5)1-11/h2-3,8,14H,1,11H2
InChIKeyHHTOLUSVKCBLNA-UHFFFAOYSA-N
XLogP1.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.00
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

2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 118997020
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130085430
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 130098054
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134659071
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde (CID 118812276) is 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde is NCc1c(C(F)F)cnc(C=O)c1O.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
The InChIKey is HHTOLUSVKCBLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10)5-2-12-6(3-13)7(14)4(5)1-11/h2-3,8,14H,1,11H2.
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde has a molecular weight of 202.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde is sourced from PubChem (CID 118812276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).