N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H14ClF3N4 — CID 62890603

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNNc1ccc(Cl)c(CN(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H14ClF3N4/c12-8-3-4-10(18-16)17-9(8)5-19(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6,16H2,(H,17,18)
InChIKeyMBCJSQRJFXWQQR-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.55
Rot. Bonds5

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62890603) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62890603
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNNc1ccc(Cl)c(CN(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H14ClF3N4/c12-8-3-4-10(18-16)17-9(8)5-19(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6,16H2,(H,17,18)
InChIKeyMBCJSQRJFXWQQR-UHFFFAOYSA-N
XLogP2.55
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.55
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-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62890603) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is NNc1ccc(Cl)c(CN(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is MBCJSQRJFXWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c12-8-3-4-10(18-16)17-9(8)5-19(7-1-2-7)6-11(13,14)15/h3-4,7H,1-2,5-6,16H2,(H,17,18).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 294.71 g/mol, XLogP of 2.55, 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-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62890603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).