6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde

C10H7F2N3O — CID 146437553

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C10H7F2N3O/c11-10(12)15-5-7(4-13-15)9-3-1-2-8(6-16)14-9/h1-6,10H
InChIKeyJTHNDMKUBJWIJX-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.15
Rot. Bonds3

About 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde

6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde (PubChem CID 146437553) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde
PubChem CID146437553
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C10H7F2N3O/c11-10(12)15-5-7(4-13-15)9-3-1-2-8(6-16)14-9/h1-6,10H
InChIKeyJTHNDMKUBJWIJX-UHFFFAOYSA-N
XLogP2.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(6-formyl-2-pyridinyl)pyrazol-1-yl]cyclopropane-1-carbonitrile
CID 156568947
6-(6-formyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 4975903
6-(1H-pyrazol-4-yl)pyridine-2-carbaldehyde
CID 165129883
3-[1-(difluoromethyl)pyrazol-4-yl]phenol
CID 171392227
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898
6-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093639
2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 171783811
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane
CID 178061150
dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol
CID 175937262
6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
CID 167766852
1-(difluoromethyl)pyrazole-3-carbaldehyde
CID 71758119
N-(cyanomethyl)-6-[2-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-sulfonamide
CID 137355849

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde (CID 146437553) is 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde is O=Cc1cccc(-c2cnn(C(F)F)c2)n1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde?
The InChIKey is JTHNDMKUBJWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-10(12)15-5-7(4-13-15)9-3-1-2-8(6-16)14-9/h1-6,10H.
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde?
6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde has a molecular weight of 223.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 146437553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).