4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride

C18H14Cl2FNO — CID 139864479

IUPAC4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C18H13ClFNO.ClH/c1-22-18-5-3-13(12-6-8-21-9-7-12)10-15(18)14-2-4-17(20)16(19)11-14;/h2-11H,1H3;1H
InChIKeyVWRKGBNXFDVNKN-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.64
Rot. Bonds3

About 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride

4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride (PubChem CID 139864479) has the molecular formula C18H14Cl2FNO and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
PubChem CID139864479
Molecular FormulaC18H14Cl2FNO
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C18H13ClFNO.ClH/c1-22-18-5-3-13(12-6-8-21-9-7-12)10-15(18)14-2-4-17(20)16(19)11-14;/h2-11H,1H3;1H
InChIKeyVWRKGBNXFDVNKN-UHFFFAOYSA-N
XLogP5.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174501482
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2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol
CID 169189068
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1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
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4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
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2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
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1-methoxy-2,4-bis(4-methoxyphenyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride?
The IUPAC name of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride (CID 139864479) is 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride?
The canonical SMILES for 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride is COc1ccc(-c2ccncc2)cc1-c1ccc(F)c(Cl)c1.Cl.
What is the InChIKey of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride?
The InChIKey is VWRKGBNXFDVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO.ClH/c1-22-18-5-3-13(12-6-8-21-9-7-12)10-15(18)14-2-4-17(20)16(19)11-14;/h2-11H,1H3;1H.
What are the key properties of 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride?
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride has a molecular weight of 350.22 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride is sourced from PubChem (CID 139864479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).