3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine

C11H9ClF3N3 — CID 3753037

IUPAC3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)n1cccc1
InChIInChI=1S/C11H9ClF3N3/c1-17(18-4-2-3-5-18)10-9(12)6-8(7-16-10)11(13,14)15/h2-7H,1H3
InChIKeyXPFASJZIOYCDJE-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.45
Rot. Bonds2

About 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 3753037) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID3753037
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)n1cccc1
InChIInChI=1S/C11H9ClF3N3/c1-17(18-4-2-3-5-18)10-9(12)6-8(7-16-10)11(13,14)15/h2-7H,1H3
InChIKeyXPFASJZIOYCDJE-UHFFFAOYSA-N
XLogP3.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine (CID 3753037) is 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine is CN(c1ncc(C(F)(F)F)cc1Cl)n1cccc1.
What is the InChIKey of 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XPFASJZIOYCDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-17(18-4-2-3-5-18)10-9(12)6-8(7-16-10)11(13,14)15/h2-7H,1H3.
What are the key properties of 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 275.66 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-pyrrol-1-yl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 3753037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).