2-(difluoromethyl)-1H-pyridine-2-carbaldehyde

C7H7F2NO — CID 87209225

IUPAC2-(difluoromethyl)-1H-pyridine-2-carbaldehyde
SMILESO=CC1(C(F)F)C=CC=CN1
InChIInChI=1S/C7H7F2NO/c8-6(9)7(5-11)3-1-2-4-10-7/h1-6,10H
InChIKeySPANHCUBGHYQLD-UHFFFAOYSA-N
MW159.13 g/mol
LogP0.86
Rot. Bonds2

About 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde

2-(difluoromethyl)-1H-pyridine-2-carbaldehyde (PubChem CID 87209225) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-1H-pyridine-2-carbaldehyde
PubChem CID87209225
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name2-(difluoromethyl)-1H-pyridine-2-carbaldehyde
SMILESO=CC1(C(F)F)C=CC=CN1
InChIInChI=1S/C7H7F2NO/c8-6(9)7(5-11)3-1-2-4-10-7/h1-6,10H
InChIKeySPANHCUBGHYQLD-UHFFFAOYSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde (CID 87209225) is 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde is O=CC1(C(F)F)C=CC=CN1.
What is the InChIKey of 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde?
The InChIKey is SPANHCUBGHYQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-6(9)7(5-11)3-1-2-4-10-7/h1-6,10H.
What are the key properties of 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde?
2-(difluoromethyl)-1H-pyridine-2-carbaldehyde has a molecular weight of 159.13 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 87209225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).