1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide

C15H20ClN5O2 — CID 144784024

IUPAC1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
SMILESCc1cccc(N(C)N)c1COc1cccnc1Cl.NNC=O
InChIInChI=1S/C14H16ClN3O.CH4N2O/c1-10-5-3-6-12(18(2)16)11(10)9-19-13-7-4-8-17-14(13)15;2-3-1-4/h3-8H,9,16H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyGFAXRMGRNDHXPC-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.54
Rot. Bonds5

About 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide

1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144784024) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
PubChem CID144784024
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
SMILESCc1cccc(N(C)N)c1COc1cccnc1Cl.NNC=O
InChIInChI=1S/C14H16ClN3O.CH4N2O/c1-10-5-3-6-12(18(2)16)11(10)9-19-13-7-4-8-17-14(13)15;2-3-1-4/h3-8H,9,16H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyGFAXRMGRNDHXPC-UHFFFAOYSA-N
XLogP1.54
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide (CID 144784024) is 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide is Cc1cccc(N(C)N)c1COc1cccnc1Cl.NNC=O.
What is the InChIKey of 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is GFAXRMGRNDHXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O.CH4N2O/c1-10-5-3-6-12(18(2)16)11(10)9-19-13-7-4-8-17-14(13)15;2-3-1-4/h3-8H,9,16H2,1-2H3;1H,2H2,(H,3,4).
What are the key properties of 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide?
1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 337.81 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-3-pyridinyl)oxymethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144784024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).