4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde

C10H6ClN3O — CID 79078535

IUPAC4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1-c1ccccn1
InChIInChI=1S/C10H6ClN3O/c11-10-7(5-15)9(13-6-14-10)8-3-1-2-4-12-8/h1-6H
InChIKeyYSKUCGSXCXXQLQ-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.00
Rot. Bonds2

About 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde

4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde (PubChem CID 79078535) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
PubChem CID79078535
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1-c1ccccn1
InChIInChI=1S/C10H6ClN3O/c11-10-7(5-15)9(13-6-14-10)8-3-1-2-4-12-8/h1-6H
InChIKeyYSKUCGSXCXXQLQ-UHFFFAOYSA-N
XLogP2.00
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.00
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

2,6-dichloro-4-pyridin-2-ylbenzaldehyde
CID 135290721
5,6-dipyridin-2-ylpyridine-2,3,4-tricarbaldehyde
CID 87124357
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
formyl chloride;2-phenylpyridine
CID 175066008
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025
4-chloro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbaldehyde
CID 66367551
2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 23469400
4-chloro-5-pyridin-2-ylpyrimidine
CID 105371145
4,6-dichloro-2-pyridin-2-yl-1H-indole-3-carbaldehyde
CID 4637543
4-chloro-6-(quinolin-4-ylmethyl)pyrimidine-5-carbaldehyde
CID 79079896
copper;2-formylphenolate;2-pyridin-2-ylpyridine;perchlorate
CID 139163634
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde (CID 79078535) is 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1-c1ccccn1.
What is the InChIKey of 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is YSKUCGSXCXXQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c11-10-7(5-15)9(13-6-14-10)8-3-1-2-4-12-8/h1-6H.
What are the key properties of 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde?
4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 219.63 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 79078535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).