5-chloro-3-methoxypyridine-2-carbaldehyde;ethane

C9H12ClNO2 — CID 144606570

IUPAC5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
SMILESCC.COc1cc(Cl)cnc1C=O
InChIInChI=1S/C7H6ClNO2.C2H6/c1-11-7-2-5(8)3-9-6(7)4-10;1-2/h2-4H,1H3;1-2H3
InChIKeyTXEAUTKSVUNZRL-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.58
Rot. Bonds2

About 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane

5-chloro-3-methoxypyridine-2-carbaldehyde;ethane (PubChem CID 144606570) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane.

Molecular Properties

Compound Name5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
PubChem CID144606570
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
SMILESCC.COc1cc(Cl)cnc1C=O
InChIInChI=1S/C7H6ClNO2.C2H6/c1-11-7-2-5(8)3-9-6(7)4-10;1-2/h2-4H,1H3;1-2H3
InChIKeyTXEAUTKSVUNZRL-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 156813524
CID 156813524
5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
5-chloro-3-iodopyridine-2-carbaldehyde
CID 131589570
5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
5-chloro-3-(3,5-dichlorophenyl)pyridine-2-carbaldehyde
CID 133088128
5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde
CID 170696962
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
CID 84670350
5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine
CID 176933319
1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
CID 138561291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane?
The IUPAC name of 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane (CID 144606570) is 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane.
What is the SMILES notation for 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane?
The canonical SMILES for 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane is CC.COc1cc(Cl)cnc1C=O.
What is the InChIKey of 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane?
The InChIKey is TXEAUTKSVUNZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.C2H6/c1-11-7-2-5(8)3-9-6(7)4-10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane?
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane has a molecular weight of 201.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxypyridine-2-carbaldehyde;ethane is sourced from PubChem (CID 144606570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).