3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol

C8H8ClF3N2O — CID 103736429

IUPAC3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ccncc1Cl)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c9-5-3-13-2-1-6(5)14-4-7(15)8(10,11)12/h1-3,7,15H,4H2,(H,13,14)
InChIKeyPBZIFGAFUKBISB-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.07
Rot. Bonds3

About 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103736429) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103736429
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ccncc1Cl)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c9-5-3-13-2-1-6(5)14-4-7(15)8(10,11)12/h1-3,7,15H,4H2,(H,13,14)
InChIKeyPBZIFGAFUKBISB-UHFFFAOYSA-N
XLogP2.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol (CID 103736429) is 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol is OC(CNc1ccncc1Cl)C(F)(F)F.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is PBZIFGAFUKBISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c9-5-3-13-2-1-6(5)14-4-7(15)8(10,11)12/h1-3,7,15H,4H2,(H,13,14).
What are the key properties of 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 240.61 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103736429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).