6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine

C9H11ClF2N4 — CID 155284770

IUPAC6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine
SMILESFC1(F)CN[C@H](CNc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H11ClF2N4/c10-7-1-2-8(16-15-7)13-4-6-3-9(11,12)5-14-6/h1-2,6,14H,3-5H2,(H,13,16)/t6-/m0/s1
InChIKeyZCMVOLJRUUNDCJ-LURJTMIESA-N
MW248.66 g/mol
LogP1.54
Rot. Bonds3

About 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine

6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine (PubChem CID 155284770) has the molecular formula C9H11ClF2N4 and a molecular weight of 248.66 g/mol. Its IUPAC name is 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine
PubChem CID155284770
Molecular FormulaC9H11ClF2N4
Molecular Weight248.66 g/mol
Exact Mass248.06
IUPAC Name6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine
SMILESFC1(F)CN[C@H](CNc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H11ClF2N4/c10-7-1-2-8(16-15-7)13-4-6-3-9(11,12)5-14-6/h1-2,6,14H,3-5H2,(H,13,16)/t6-/m0/s1
InChIKeyZCMVOLJRUUNDCJ-LURJTMIESA-N
XLogP1.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine (CID 155284770) is 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine is FC1(F)CN[C@H](CNc2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is ZCMVOLJRUUNDCJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClF2N4/c10-7-1-2-8(16-15-7)13-4-6-3-9(11,12)5-14-6/h1-2,6,14H,3-5H2,(H,13,16)/t6-/m0/s1.
What are the key properties of 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine?
6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 248.66 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 155284770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).