5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine

C17H17ClFN3O3 — CID 133422136

IUPAC5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O3/c18-13-9-16(22(23)24)17(20-10-13)21-7-5-15(6-8-21)25-11-12-1-3-14(19)4-2-12/h1-4,9-10,15H,5-8,11H2
InChIKeyCWLUPCSECYOOLY-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.97
Rot. Bonds5

About 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine

5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine (PubChem CID 133422136) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine.

Molecular Properties

Compound Name5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine
PubChem CID133422136
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H17ClFN3O3/c18-13-9-16(22(23)24)17(20-10-13)21-7-5-15(6-8-21)25-11-12-1-3-14(19)4-2-12/h1-4,9-10,15H,5-8,11H2
InChIKeyCWLUPCSECYOOLY-UHFFFAOYSA-N
XLogP3.97
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-pyridinyl)-7-[(4-fluorophenyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 21706403
(7S,8aS)-7-(4-Fluorobenzyl)oxy-2-(5-chloropyridin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886060
5-Nitro-2-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyridine
CID 57647141
3-Chloro-2-[4-(3-fluorophenoxy)piperidin-1-yl]-5-nitropyridine
CID 124106933
3-Chloro-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-5-nitropyridine
CID 124106984
3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine
CID 141399435
2-[4-(2,4-Difluorophenoxy)piperidin-1-yl]-5-methyl-3-nitropyridine
CID 150190375
9-(3-Chloro-5-nitro-2-pyridinyl)-3,3-difluoro-1-oxa-9-azaspiro[5.5]undecane
CID 156565872
3-[4-[4-Chloro-2-(trifluoromethyl)phenoxy]-2-ethylpiperidin-1-yl]-2-nitropyridine
CID 156736239
3-[(2R,4R)-4-[4-chloro-2-(trifluoromethyl)phenoxy]-2-ethylpiperidin-1-yl]-2-nitropyridine
CID 175798839
6-chloro-7-(2-fluoro-6-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-3-nitro-2H-1,8-naphthyridine
CID 175894435
3-(6-Chloro-3-pyridinyl)-9-(3-fluoro-2-nitrophenyl)-2-oxa-9-azaspiro[5.5]undecane
CID 177776248

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine?
The IUPAC name of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine (CID 133422136) is 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine.
What is the SMILES notation for 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine?
The canonical SMILES for 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine is O=[N+]([O-])c1cc(Cl)cnc1N1CCC(OCc2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine?
The InChIKey is CWLUPCSECYOOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3/c18-13-9-16(22(23)24)17(20-10-13)21-7-5-15(6-8-21)25-11-12-1-3-14(19)4-2-12/h1-4,9-10,15H,5-8,11H2.
What are the key properties of 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine?
5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine has a molecular weight of 365.79 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-3-nitropyridine is sourced from PubChem (CID 133422136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).