5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde

C10H6ClF2N3O — CID 55127475

IUPAC5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(-c2ccncc2)c1Cl
InChIInChI=1S/C10H6ClF2N3O/c11-9-7(5-17)8(10(12)13)15-16(9)6-1-3-14-4-2-6/h1-5,10H
InChIKeySYVJUSFPNQNAFW-UHFFFAOYSA-N
MW257.63 g/mol
LogP2.67
Rot. Bonds3

About 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde

5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 55127475) has the molecular formula C10H6ClF2N3O and a molecular weight of 257.63 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID55127475
Molecular FormulaC10H6ClF2N3O
Molecular Weight257.63 g/mol
Exact Mass257.02
IUPAC Name5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(-c2ccncc2)c1Cl
InChIInChI=1S/C10H6ClF2N3O/c11-9-7(5-17)8(10(12)13)15-16(9)6-1-3-14-4-2-6/h1-5,10H
InChIKeySYVJUSFPNQNAFW-UHFFFAOYSA-N
XLogP2.67
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde (CID 55127475) is 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde is O=Cc1c(C(F)F)nn(-c2ccncc2)c1Cl.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is SYVJUSFPNQNAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O/c11-9-7(5-17)8(10(12)13)15-16(9)6-1-3-14-4-2-6/h1-5,10H.
What are the key properties of 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde?
5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 257.63 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 55127475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).