3,5-dichloropyridine-4-carbaldehyde

C6H3Cl2NO — CID 2762988

IUPAC3,5-dichloropyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
InChIKeyRBFNWOINNIOZKR-UHFFFAOYSA-N
MW176.00 g/mol
LogP2.20
Rot. Bonds1

About 3,5-dichloropyridine-4-carbaldehyde

3,5-dichloropyridine-4-carbaldehyde (PubChem CID 2762988) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 3,5-dichloropyridine-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dichloropyridine-4-carbaldehyde
PubChem CID2762988
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name3,5-dichloropyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C6H3Cl2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
InChIKeyRBFNWOINNIOZKR-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-ethylpyridine-4-carbaldehyde
CID 170993145
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
CID 134635841
3-chloro-5-phenylsulfanylpyridine-4-carbaldehyde
CID 10490873
3-chloro-5-(2-methylphenyl)sulfanylpyridine-4-carbaldehyde
CID 10801525
3,5-dichloro-2-fluoropyridine-4-carbaldehyde
CID 146155135
3-(3,5-dichloro-4-pyridinyl)prop-2-enamide
CID 169481565
3-bromo-5-chloro-2-fluoropyridine-4-carbaldehyde
CID 131322697
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
2,4,5-trichloropyridine-3-carbaldehyde
CID 134453137
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
CID 22607272
2,6-dichlorobenzaldehyde;ethane
CID 90823593
3-amino-5-chloro-2-methylpyridine-4-carbaldehyde
CID 118192433

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloropyridine-4-carbaldehyde?
The IUPAC name of 3,5-dichloropyridine-4-carbaldehyde (CID 2762988) is 3,5-dichloropyridine-4-carbaldehyde.
What is the SMILES notation for 3,5-dichloropyridine-4-carbaldehyde?
The canonical SMILES for 3,5-dichloropyridine-4-carbaldehyde is O=Cc1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloropyridine-4-carbaldehyde?
The InChIKey is RBFNWOINNIOZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H.
What are the key properties of 3,5-dichloropyridine-4-carbaldehyde?
3,5-dichloropyridine-4-carbaldehyde has a molecular weight of 176.00 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloropyridine-4-carbaldehyde is sourced from PubChem (CID 2762988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).