2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine

C14H10ClFN2O2 — CID 171432269

IUPAC2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine
SMILES[C-]#[N+]c1cc(F)c(OCc2ccc(OC)cc2)nc1Cl
InChIInChI=1S/C14H10ClFN2O2/c1-17-12-7-11(16)14(18-13(12)15)20-8-9-3-5-10(19-2)6-4-9/h3-7H,8H2,2H3
InChIKeyQBIFINUOLHHDHH-UHFFFAOYSA-N
MW292.70 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine

2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine (PubChem CID 171432269) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine
PubChem CID171432269
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine
SMILES[C-]#[N+]c1cc(F)c(OCc2ccc(OC)cc2)nc1Cl
InChIInChI=1S/C14H10ClFN2O2/c1-17-12-7-11(16)14(18-13(12)15)20-8-9-3-5-10(19-2)6-4-9/h3-7H,8H2,2H3
InChIKeyQBIFINUOLHHDHH-UHFFFAOYSA-N
XLogP4.01
TPSA35.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine?
The IUPAC name of 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine (CID 171432269) is 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine?
The canonical SMILES for 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine is [C-]#[N+]c1cc(F)c(OCc2ccc(OC)cc2)nc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine?
The InChIKey is QBIFINUOLHHDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c1-17-12-7-11(16)14(18-13(12)15)20-8-9-3-5-10(19-2)6-4-9/h3-7H,8H2,2H3.
What are the key properties of 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine?
2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine has a molecular weight of 292.70 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-isocyano-6-[(4-methoxyphenyl)methoxy]pyridine is sourced from PubChem (CID 171432269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).