2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine

C9H10ClF3N2 — CID 118669419

IUPAC2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine
SMILESCc1cnc(Cl)cc1NC(C)C(F)(F)F
InChIInChI=1S/C9H10ClF3N2/c1-5-4-14-8(10)3-7(5)15-6(2)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)
InChIKeyLVTFODPVPNZDFJ-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.41
Rot. Bonds2

About 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine

2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine (PubChem CID 118669419) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine
PubChem CID118669419
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine
SMILESCc1cnc(Cl)cc1NC(C)C(F)(F)F
InChIInChI=1S/C9H10ClF3N2/c1-5-4-14-8(10)3-7(5)15-6(2)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)
InChIKeyLVTFODPVPNZDFJ-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.41
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 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine (CID 118669419) is 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine is Cc1cnc(Cl)cc1NC(C)C(F)(F)F.
What is the InChIKey of 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine?
The InChIKey is LVTFODPVPNZDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-5-4-14-8(10)3-7(5)15-6(2)9(11,12)13/h3-4,6H,1-2H3,(H,14,15).
What are the key properties of 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine?
2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine has a molecular weight of 238.64 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(1,1,1-trifluoropropan-2-yl)pyridin-4-amine is sourced from PubChem (CID 118669419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).