N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine

C9H12ClF3N4 — CID 62892337

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1nc(NN)ccc1Cl)CC(F)(F)F
InChIInChI=1S/C9H12ClF3N4/c1-17(5-9(11,12)13)4-7-6(10)2-3-8(15-7)16-14/h2-3H,4-5,14H2,1H3,(H,15,16)
InChIKeyUTLSUVBININBJY-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.01
Rot. Bonds4

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 62892337) has the molecular formula C9H12ClF3N4 and a molecular weight of 268.67 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID62892337
Molecular FormulaC9H12ClF3N4
Molecular Weight268.67 g/mol
Exact Mass268.07
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1nc(NN)ccc1Cl)CC(F)(F)F
InChIInChI=1S/C9H12ClF3N4/c1-17(5-9(11,12)13)4-7-6(10)2-3-8(15-7)16-14/h2-3H,4-5,14H2,1H3,(H,15,16)
InChIKeyUTLSUVBININBJY-UHFFFAOYSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.01
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]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 62892337) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine is CN(Cc1nc(NN)ccc1Cl)CC(F)(F)F.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is UTLSUVBININBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N4/c1-17(5-9(11,12)13)4-7-6(10)2-3-8(15-7)16-14/h2-3H,4-5,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 268.67 g/mol, XLogP of 2.01, 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]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 62892337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).