2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide

C14H16ClFN4O2 — CID 144784212

IUPAC2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide
SMILESCNc1cccc(F)c1COc1cccnc1Cl.NNC=O
InChIInChI=1S/C13H12ClFN2O.CH4N2O/c1-16-11-5-2-4-10(15)9(11)8-18-12-6-3-7-17-13(12)14;2-3-1-4/h2-7,16H,8H2,1H3;1H,2H2,(H,3,4)
InChIKeyFVJMTTCDWCONNG-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.10
Rot. Bonds5

About 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide

2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide (PubChem CID 144784212) has the molecular formula C14H16ClFN4O2 and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide
PubChem CID144784212
Molecular FormulaC14H16ClFN4O2
Molecular Weight326.76 g/mol
Exact Mass326.09
IUPAC Name2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide
SMILESCNc1cccc(F)c1COc1cccnc1Cl.NNC=O
InChIInChI=1S/C13H12ClFN2O.CH4N2O/c1-16-11-5-2-4-10(15)9(11)8-18-12-6-3-7-17-13(12)14;2-3-1-4/h2-7,16H,8H2,1H3;1H,2H2,(H,3,4)
InChIKeyFVJMTTCDWCONNG-UHFFFAOYSA-N
XLogP2.10
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide (CID 144784212) is 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide is CNc1cccc(F)c1COc1cccnc1Cl.NNC=O.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide?
The InChIKey is FVJMTTCDWCONNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O.CH4N2O/c1-16-11-5-2-4-10(15)9(11)8-18-12-6-3-7-17-13(12)14;2-3-1-4/h2-7,16H,8H2,1H3;1H,2H2,(H,3,4).
What are the key properties of 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide?
2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide has a molecular weight of 326.76 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)oxymethyl]-3-fluoro-N-methylaniline;formohydrazide is sourced from PubChem (CID 144784212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).