5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine

C8H9ClF2N2 — CID 67485810

IUPAC5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1c(F)c(N)nc(F)c1Cl
InChIInChI=1S/C8H9ClF2N2/c1-3(2)4-5(9)7(11)13-8(12)6(4)10/h3H,1-2H3,(H2,12,13)
InChIKeyKNIOKFRHRKYDBT-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.72
Rot. Bonds1

About 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine

5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine (PubChem CID 67485810) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine
PubChem CID67485810
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC Name5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1c(F)c(N)nc(F)c1Cl
InChIInChI=1S/C8H9ClF2N2/c1-3(2)4-5(9)7(11)13-8(12)6(4)10/h3H,1-2H3,(H2,12,13)
InChIKeyKNIOKFRHRKYDBT-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine (CID 67485810) is 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine is CC(C)c1c(F)c(N)nc(F)c1Cl.
What is the InChIKey of 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine?
The InChIKey is KNIOKFRHRKYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c1-3(2)4-5(9)7(11)13-8(12)6(4)10/h3H,1-2H3,(H2,12,13).
What are the key properties of 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine?
5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine has a molecular weight of 206.62 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 67485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).