3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

C12H19F2N5 — CID 114073108

IUPAC3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2nc(NN)c(F)cc2F)CC1
InChIInChI=1S/C12H19F2N5/c1-19-4-2-8(3-5-19)7-16-11-9(13)6-10(14)12(17-11)18-15/h6,8H,2-5,7,15H2,1H3,(H2,16,17,18)
InChIKeyCUOJRSRRSIHPML-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.40
Rot. Bonds4

About 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (PubChem CID 114073108) has the molecular formula C12H19F2N5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
PubChem CID114073108
Molecular FormulaC12H19F2N5
Molecular Weight271.31 g/mol
Exact Mass271.16
IUPAC Name3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2nc(NN)c(F)cc2F)CC1
InChIInChI=1S/C12H19F2N5/c1-19-4-2-8(3-5-19)7-16-11-9(13)6-10(14)12(17-11)18-15/h6,8H,2-5,7,15H2,1H3,(H2,16,17,18)
InChIKeyCUOJRSRRSIHPML-UHFFFAOYSA-N
XLogP1.40
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (CID 114073108) is 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is CN1CCC(CNc2nc(NN)c(F)cc2F)CC1.
What is the InChIKey of 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is CUOJRSRRSIHPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N5/c1-19-4-2-8(3-5-19)7-16-11-9(13)6-10(14)12(17-11)18-15/h6,8H,2-5,7,15H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine has a molecular weight of 271.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114073108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).