3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide

C9H8ClF3N2O — CID 1470974

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESNC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O/c10-6-3-5(9(11,12)13)4-15-7(6)1-2-8(14)16/h3-4H,1-2H2,(H2,14,16)
InChIKeyHNBREFMDIYEXHN-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.17
Rot. Bonds3

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 1470974) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID1470974
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESNC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O/c10-6-3-5(9(11,12)13)4-15-7(6)1-2-8(14)16/h3-4H,1-2H2,(H2,14,16)
InChIKeyHNBREFMDIYEXHN-UHFFFAOYSA-N
XLogP2.17
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 1470974) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is NC(=O)CCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is HNBREFMDIYEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-6-3-5(9(11,12)13)4-15-7(6)1-2-8(14)16/h3-4H,1-2H2,(H2,14,16).
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 252.62 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 1470974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).