4-(4-chloro-2-methoxyphenyl)pyridin-1-ium

C12H11ClNO+ — CID 143833713

IUPAC4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
SMILESCOc1cc(Cl)ccc1-c1cc[nH+]cc1
InChIInChI=1S/C12H10ClNO/c1-15-12-8-10(13)2-3-11(12)9-4-6-14-7-5-9/h2-8H,1H3/p+1
InChIKeyQSJUOJCOEZKCHR-UHFFFAOYSA-O
MW220.68 g/mol
LogP2.83
Rot. Bonds2

About 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium

4-(4-chloro-2-methoxyphenyl)pyridin-1-ium (PubChem CID 143833713) has the molecular formula C12H11ClNO+ and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
PubChem CID143833713
Molecular FormulaC12H11ClNO+
Molecular Weight220.68 g/mol
Exact Mass220.05
IUPAC Name4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
SMILESCOc1cc(Cl)ccc1-c1cc[nH+]cc1
InChIInChI=1S/C12H10ClNO/c1-15-12-8-10(13)2-3-11(12)9-4-6-14-7-5-9/h2-8H,1H3/p+1
InChIKeyQSJUOJCOEZKCHR-UHFFFAOYSA-O
XLogP2.83
TPSA23.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
3-(4-chloro-2-methoxyphenyl)-5-methylphenol
CID 53219061
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol
CID 67255854
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
CID 175597573
CID 175597573
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium?
The IUPAC name of 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium (CID 143833713) is 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium?
The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium is COc1cc(Cl)ccc1-c1cc[nH+]cc1.
What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium?
The InChIKey is QSJUOJCOEZKCHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H10ClNO/c1-15-12-8-10(13)2-3-11(12)9-4-6-14-7-5-9/h2-8H,1H3/p+1.
What are the key properties of 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium?
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium has a molecular weight of 220.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenyl)pyridin-1-ium is sourced from PubChem (CID 143833713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).