5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine

C9H10ClF3N2O — CID 66274652

IUPAC5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
SMILESCC(OCc1nc(N)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O/c1-5(9(11,12)13)16-4-7-6(10)2-3-8(14)15-7/h2-3,5H,4H2,1H3,(H2,14,15)
InChIKeyDDDNFGJXPNXICD-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.78
Rot. Bonds3

About 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine

5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine (PubChem CID 66274652) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
PubChem CID66274652
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine
SMILESCC(OCc1nc(N)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O/c1-5(9(11,12)13)16-4-7-6(10)2-3-8(14)15-7/h2-3,5H,4H2,1H3,(H2,14,15)
InChIKeyDDDNFGJXPNXICD-UHFFFAOYSA-N
XLogP2.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine (CID 66274652) is 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine is CC(OCc1nc(N)ccc1Cl)C(F)(F)F.
What is the InChIKey of 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
The InChIKey is DDDNFGJXPNXICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-5(9(11,12)13)16-4-7-6(10)2-3-8(14)15-7/h2-3,5H,4H2,1H3,(H2,14,15).
What are the key properties of 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine?
5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine has a molecular weight of 254.64 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridin-2-amine is sourced from PubChem (CID 66274652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).