N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline

C14H16ClFN4 — CID 62890963

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1nc(NN)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H16ClFN4/c1-2-20(11-5-3-10(16)4-6-11)9-13-12(15)7-8-14(18-13)19-17/h3-8H,2,9,17H2,1H3,(H,18,19)
InChIKeyQOUQODWDWUBDGY-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.19
Rot. Bonds5

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline (PubChem CID 62890963) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
PubChem CID62890963
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1nc(NN)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H16ClFN4/c1-2-20(11-5-3-10(16)4-6-11)9-13-12(15)7-8-14(18-13)19-17/h3-8H,2,9,17H2,1H3,(H,18,19)
InChIKeyQOUQODWDWUBDGY-UHFFFAOYSA-N
XLogP3.19
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.19
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-ethyl-4-fluoroaniline?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline (CID 62890963) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline is CCN(Cc1nc(NN)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline?
The InChIKey is QOUQODWDWUBDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-2-20(11-5-3-10(16)4-6-11)9-13-12(15)7-8-14(18-13)19-17/h3-8H,2,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline has a molecular weight of 294.76 g/mol, XLogP of 3.19, 5 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-ethyl-4-fluoroaniline is sourced from PubChem (CID 62890963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).