6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine

C11H8ClF2N3 — CID 54967674

IUPAC6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine
SMILESFc1ccc(CNc2ccc(Cl)nn2)cc1F
InChIInChI=1S/C11H8ClF2N3/c12-10-3-4-11(17-16-10)15-6-7-1-2-8(13)9(14)5-7/h1-5H,6H2,(H,15,17)
InChIKeyQQTPXQPIVNSQIB-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.02
Rot. Bonds3

About 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine

6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine (PubChem CID 54967674) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine
PubChem CID54967674
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine
SMILESFc1ccc(CNc2ccc(Cl)nn2)cc1F
InChIInChI=1S/C11H8ClF2N3/c12-10-3-4-11(17-16-10)15-6-7-1-2-8(13)9(14)5-7/h1-5H,6H2,(H,15,17)
InChIKeyQQTPXQPIVNSQIB-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine (CID 54967674) is 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine is Fc1ccc(CNc2ccc(Cl)nn2)cc1F.
What is the InChIKey of 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine?
The InChIKey is QQTPXQPIVNSQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c12-10-3-4-11(17-16-10)15-6-7-1-2-8(13)9(14)5-7/h1-5H,6H2,(H,15,17).
What are the key properties of 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine?
6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine has a molecular weight of 255.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-difluorophenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 54967674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).