2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine

C18H17F2N3O2 — CID 133480016

IUPAC2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine
SMILESCc1cc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H17F2N3O2/c1-12-8-18(21-11-17(12)23(24)25)22-6-4-13(5-7-22)9-14-2-3-15(19)16(20)10-14/h2-3,8-11H,4-7H2,1H3
InChIKeyCVJPBGDMSIXCLD-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.26
Rot. Bonds3

About 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine

2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine (PubChem CID 133480016) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine
PubChem CID133480016
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine
SMILESCc1cc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H17F2N3O2/c1-12-8-18(21-11-17(12)23(24)25)22-6-4-13(5-7-22)9-14-2-3-15(19)16(20)10-14/h2-3,8-11H,4-7H2,1H3
InChIKeyCVJPBGDMSIXCLD-UHFFFAOYSA-N
XLogP4.26
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-difluorophenyl)methylidene]-1-(5-methylsulfonyl-3-nitrothiophen-2-yl)piperidine
CID 133479976
4-[(3,4-difluorophenyl)methylidene]-1-(3-methylsulfonyl-2-nitrophenyl)piperidine
CID 133480091
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
4-[(3-fluoro-4-nitrophenyl)methylidene]piperidine-1-carboxylic acid
CID 67190864
1-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]pyridazine-3-carboxamide
CID 133479996
(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 133339156
N-(3-chloro-4-fluorophenyl)-1-(4-methyl-5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 133339526
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
N,N-dimethyl-1-[6-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 133329565
2,2-dimethyl-3-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanal
CID 87488643
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl] carbamate
CID 155355830

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine?
The IUPAC name of 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine (CID 133480016) is 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine?
The canonical SMILES for 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine is Cc1cc(N2CCC(=Cc3ccc(F)c(F)c3)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine?
The InChIKey is CVJPBGDMSIXCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-12-8-18(21-11-17(12)23(24)25)22-6-4-13(5-7-22)9-14-2-3-15(19)16(20)10-14/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine?
2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine has a molecular weight of 345.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-4-methyl-5-nitropyridine is sourced from PubChem (CID 133480016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).