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

C14H16Cl2N4O2 — CID 144783928

IUPAC3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
SMILESCNc1cccc(Cl)c1COc1cccnc1Cl.NNC=O
InChIInChI=1S/C13H12Cl2N2O.CH4N2O/c1-16-11-5-2-4-10(14)9(11)8-18-12-6-3-7-17-13(12)15;2-3-1-4/h2-7,16H,8H2,1H3;1H,2H2,(H,3,4)
InChIKeyZQIWGCNPECQHIV-UHFFFAOYSA-N
MW343.21 g/mol
LogP2.62
Rot. Bonds5

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

3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide (PubChem CID 144783928) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide.

Molecular Properties

Compound Name3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
PubChem CID144783928
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC Name3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
SMILESCNc1cccc(Cl)c1COc1cccnc1Cl.NNC=O
InChIInChI=1S/C13H12Cl2N2O.CH4N2O/c1-16-11-5-2-4-10(14)9(11)8-18-12-6-3-7-17-13(12)15;2-3-1-4/h2-7,16H,8H2,1H3;1H,2H2,(H,3,4)
InChIKeyZQIWGCNPECQHIV-UHFFFAOYSA-N
XLogP2.62
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 52.62
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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Related Compounds

3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090
2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
CID 144784338
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
CID 144784027
3-chloro-2-[(2,4-difluorophenoxy)methyl]-N-methylaniline;propanal
CID 144933012
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
3-chloro-2-[[4-[(Z)-2-ethylsulfanyl-1-(methylideneamino)prop-1-enyl]-2-methylphenoxy]methyl]-N-methylaniline;formohydrazide
CID 144799641
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
CID 144784328
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
The IUPAC name of 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide (CID 144783928) is 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide.
What is the SMILES notation for 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
The canonical SMILES for 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide is CNc1cccc(Cl)c1COc1cccnc1Cl.NNC=O.
What is the InChIKey of 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
The InChIKey is ZQIWGCNPECQHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O.CH4N2O/c1-16-11-5-2-4-10(14)9(11)8-18-12-6-3-7-17-13(12)15;2-3-1-4/h2-7,16H,8H2,1H3;1H,2H2,(H,3,4).
What are the key properties of 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide?
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide has a molecular weight of 343.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide is sourced from PubChem (CID 144783928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).