6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine

C12H9Cl2F2N3 — CID 58514884

IUPAC6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C12H9Cl2F2N3/c13-10-4-3-9(17)12(19-10)18-5-6-7(15)1-2-8(16)11(6)14/h1-4H,5,17H2,(H,18,19)
InChIKeyLWPDSGFATXTXHY-UHFFFAOYSA-N
MW304.13 g/mol
LogP3.86
Rot. Bonds3

About 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine

6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine (PubChem CID 58514884) has the molecular formula C12H9Cl2F2N3 and a molecular weight of 304.13 g/mol. Its IUPAC name is 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine
PubChem CID58514884
Molecular FormulaC12H9Cl2F2N3
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C12H9Cl2F2N3/c13-10-4-3-9(17)12(19-10)18-5-6-7(15)1-2-8(16)11(6)14/h1-4H,5,17H2,(H,18,19)
InChIKeyLWPDSGFATXTXHY-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine (CID 58514884) is 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine is Nc1ccc(Cl)nc1NCc1c(F)ccc(F)c1Cl.
What is the InChIKey of 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine?
The InChIKey is LWPDSGFATXTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F2N3/c13-10-4-3-9(17)12(19-10)18-5-6-7(15)1-2-8(16)11(6)14/h1-4H,5,17H2,(H,18,19).
What are the key properties of 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine?
6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine has a molecular weight of 304.13 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(2-chloro-3,6-difluorophenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 58514884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).