2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde

C7H4ClNO2 — CID 139828079

IUPAC2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1cnccc1Cl
InChIInChI=1S/C7H4ClNO2/c8-6-1-2-9-3-5(6)7(11)4-10/h1-4H
InChIKeyMNTZCNFTMZASOE-UHFFFAOYSA-N
MW169.57 g/mol
LogP1.12
Rot. Bonds2

About 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde

2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde (PubChem CID 139828079) has the molecular formula C7H4ClNO2 and a molecular weight of 169.57 g/mol. Its IUPAC name is 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde
PubChem CID139828079
Molecular FormulaC7H4ClNO2
Molecular Weight169.57 g/mol
Exact Mass168.99
IUPAC Name2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde
SMILESO=CC(=O)c1cnccc1Cl
InChIInChI=1S/C7H4ClNO2/c8-6-1-2-9-3-5(6)7(11)4-10/h1-4H
InChIKeyMNTZCNFTMZASOE-UHFFFAOYSA-N
XLogP1.12
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methoxypyridine-3-carboxamide
CID 103871256
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403
2-methoxyethyl 4-chloropyridine-3-carboxylate
CID 115885964
3-(pyridine-4-carbonyl)pyridine-4-carbaldehyde
CID 18316610
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
(E)-1-(3-chloro-4-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
CID 19711146
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
4-chloro-N-(oxetan-3-yl)pyridine-3-carboxamide
CID 81232941
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81226182
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde?
The IUPAC name of 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde (CID 139828079) is 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde is O=CC(=O)c1cnccc1Cl.
What is the InChIKey of 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde?
The InChIKey is MNTZCNFTMZASOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO2/c8-6-1-2-9-3-5(6)7(11)4-10/h1-4H.
What are the key properties of 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde?
2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde has a molecular weight of 169.57 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-pyridinyl)-2-oxoacetaldehyde is sourced from PubChem (CID 139828079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).