N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

C10H14ClF3N4 — CID 62890424

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1nc(NN)ccc1Cl)CC(F)(F)F
InChIInChI=1S/C10H14ClF3N4/c1-2-18(6-10(12,13)14)5-8-7(11)3-4-9(16-8)17-15/h3-4H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyDRJIDCVEPWQZRE-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.40
Rot. Bonds5

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 62890424) has the molecular formula C10H14ClF3N4 and a molecular weight of 282.70 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID62890424
Molecular FormulaC10H14ClF3N4
Molecular Weight282.70 g/mol
Exact Mass282.09
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1nc(NN)ccc1Cl)CC(F)(F)F
InChIInChI=1S/C10H14ClF3N4/c1-2-18(6-10(12,13)14)5-8-7(11)3-4-9(16-8)17-15/h3-4H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyDRJIDCVEPWQZRE-UHFFFAOYSA-N
XLogP2.40
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.40
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-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 62890424) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1nc(NN)ccc1Cl)CC(F)(F)F.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is DRJIDCVEPWQZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N4/c1-2-18(6-10(12,13)14)5-8-7(11)3-4-9(16-8)17-15/h3-4H,2,5-6,15H2,1H3,(H,16,17).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 282.70 g/mol, XLogP of 2.40, 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-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62890424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).