1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine

C12H13ClFNO — CID 118221082

IUPAC1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C2=CCN(Cl)CC2)cc1F
InChIInChI=1S/C12H13ClFNO/c1-16-12-3-2-10(8-11(12)14)9-4-6-15(13)7-5-9/h2-4,8H,5-7H2,1H3
InChIKeyUTJQPFHCHPUOLF-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.08
Rot. Bonds2

About 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine

1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 118221082) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
PubChem CID118221082
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C2=CCN(Cl)CC2)cc1F
InChIInChI=1S/C12H13ClFNO/c1-16-12-3-2-10(8-11(12)14)9-4-6-15(13)7-5-9/h2-4,8H,5-7H2,1H3
InChIKeyUTJQPFHCHPUOLF-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine
CID 122596102
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
4-(cyclopenten-1-yl)-1,2-dimethoxybenzene
CID 71373642
2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 141381204
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8681261
4-(cyclopenten-1-yl)-1-fluoro-2-methoxybenzene
CID 57475769
3-(3-fluoro-4-methoxyphenyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65177140
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
CID 168514944
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
CID 112694568
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine (CID 118221082) is 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine is COc1ccc(C2=CCN(Cl)CC2)cc1F.
What is the InChIKey of 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is UTJQPFHCHPUOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-16-12-3-2-10(8-11(12)14)9-4-6-15(13)7-5-9/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine?
1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 241.69 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 118221082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).