1-chloro-4H-pyridine-3,5-dicarbaldehyde

C7H6ClNO2 — CID 150027084

IUPAC1-chloro-4H-pyridine-3,5-dicarbaldehyde
SMILESO=CC1=CN(Cl)C=C(C=O)C1
InChIInChI=1S/C7H6ClNO2/c8-9-2-6(4-10)1-7(3-9)5-11/h2-5H,1H2
InChIKeyDGLRGWNZSJJBTL-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.01
Rot. Bonds2

About 1-chloro-4H-pyridine-3,5-dicarbaldehyde

1-chloro-4H-pyridine-3,5-dicarbaldehyde (PubChem CID 150027084) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 1-chloro-4H-pyridine-3,5-dicarbaldehyde.

Molecular Properties

Compound Name1-chloro-4H-pyridine-3,5-dicarbaldehyde
PubChem CID150027084
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name1-chloro-4H-pyridine-3,5-dicarbaldehyde
SMILESO=CC1=CN(Cl)C=C(C=O)C1
InChIInChI=1S/C7H6ClNO2/c8-9-2-6(4-10)1-7(3-9)5-11/h2-5H,1H2
InChIKeyDGLRGWNZSJJBTL-UHFFFAOYSA-N
XLogP1.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4H-pyridine-3,5-dicarbaldehyde?
The IUPAC name of 1-chloro-4H-pyridine-3,5-dicarbaldehyde (CID 150027084) is 1-chloro-4H-pyridine-3,5-dicarbaldehyde.
What is the SMILES notation for 1-chloro-4H-pyridine-3,5-dicarbaldehyde?
The canonical SMILES for 1-chloro-4H-pyridine-3,5-dicarbaldehyde is O=CC1=CN(Cl)C=C(C=O)C1.
What is the InChIKey of 1-chloro-4H-pyridine-3,5-dicarbaldehyde?
The InChIKey is DGLRGWNZSJJBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-9-2-6(4-10)1-7(3-9)5-11/h2-5H,1H2.
What are the key properties of 1-chloro-4H-pyridine-3,5-dicarbaldehyde?
1-chloro-4H-pyridine-3,5-dicarbaldehyde has a molecular weight of 171.58 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4H-pyridine-3,5-dicarbaldehyde is sourced from PubChem (CID 150027084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).