2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine

C12H7ClF2N2O3 — CID 63597772

IUPAC2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cc(F)c(OCc2cccnc2Cl)cc1F
InChIInChI=1S/C12H7ClF2N2O3/c13-12-7(2-1-3-16-12)6-20-11-5-8(14)10(17(18)19)4-9(11)15/h1-5H,6H2
InChIKeyRBSRVGMSDUCHCZ-UHFFFAOYSA-N
MW300.65 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine

2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine (PubChem CID 63597772) has the molecular formula C12H7ClF2N2O3 and a molecular weight of 300.65 g/mol. Its IUPAC name is 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
PubChem CID63597772
Molecular FormulaC12H7ClF2N2O3
Molecular Weight300.65 g/mol
Exact Mass300.01
IUPAC Name2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
SMILESO=[N+]([O-])c1cc(F)c(OCc2cccnc2Cl)cc1F
InChIInChI=1S/C12H7ClF2N2O3/c13-12-7(2-1-3-16-12)6-20-11-5-8(14)10(17(18)19)4-9(11)15/h1-5H,6H2
InChIKeyRBSRVGMSDUCHCZ-UHFFFAOYSA-N
XLogP3.50
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine 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

1-chloro-8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]isoquinoline
CID 166065840
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
3-[(2-bromo-5-nitrophenoxy)methyl]-2-chloropyridine
CID 102975217
8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
CID 166065865
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
1-(3-chloropropoxy)-2,5-difluoro-4-nitrobenzene
CID 63599005
8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
CID 38829933
2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine (CID 63597772) is 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine is O=[N+]([O-])c1cc(F)c(OCc2cccnc2Cl)cc1F.
What is the InChIKey of 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine?
The InChIKey is RBSRVGMSDUCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O3/c13-12-7(2-1-3-16-12)6-20-11-5-8(14)10(17(18)19)4-9(11)15/h1-5H,6H2.
What are the key properties of 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine?
2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine has a molecular weight of 300.65 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 63597772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).