N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline

C13H15ClN4 — CID 62891013

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
SMILESCN(Cc1nc(NN)ccc1Cl)c1ccccc1
InChIInChI=1S/C13H15ClN4/c1-18(10-5-3-2-4-6-10)9-12-11(14)7-8-13(16-12)17-15/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyIYWKMLYYSMYELG-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.66
Rot. Bonds4

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline (PubChem CID 62891013) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
PubChem CID62891013
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
SMILESCN(Cc1nc(NN)ccc1Cl)c1ccccc1
InChIInChI=1S/C13H15ClN4/c1-18(10-5-3-2-4-6-10)9-12-11(14)7-8-13(16-12)17-15/h2-8H,9,15H2,1H3,(H,16,17)
InChIKeyIYWKMLYYSMYELG-UHFFFAOYSA-N
XLogP2.66
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline (CID 62891013) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline is CN(Cc1nc(NN)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline?
The InChIKey is IYWKMLYYSMYELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-18(10-5-3-2-4-6-10)9-12-11(14)7-8-13(16-12)17-15/h2-8H,9,15H2,1H3,(H,16,17).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline has a molecular weight of 262.74 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline is sourced from PubChem (CID 62891013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).