5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine

C9H12ClFN2 — CID 58543147

IUPAC5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1nc(NC(C)C)c(F)cc1Cl
InChIInChI=1S/C9H12ClFN2/c1-5(2)12-9-8(11)4-7(10)6(3)13-9/h4-5H,1-3H3,(H,12,13)
InChIKeyOAEHYPFWTMLPMT-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine

5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 58543147) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID58543147
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC Name5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1nc(NC(C)C)c(F)cc1Cl
InChIInChI=1S/C9H12ClFN2/c1-5(2)12-9-8(11)4-7(10)6(3)13-9/h4-5H,1-3H3,(H,12,13)
InChIKeyOAEHYPFWTMLPMT-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine (CID 58543147) is 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine is Cc1nc(NC(C)C)c(F)cc1Cl.
What is the InChIKey of 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is OAEHYPFWTMLPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2/c1-5(2)12-9-8(11)4-7(10)6(3)13-9/h4-5H,1-3H3,(H,12,13).
What are the key properties of 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine?
5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 202.66 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-6-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 58543147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).