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

C9H8ClF3N2O — CID 143960305

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O/c1-2-7(16)15-8-6(10)3-5(4-14-8)9(11,12)13/h3-4H,2H2,1H3,(H,14,15,16)
InChIKeyCKMHMQRGWLPCDV-UHFFFAOYSA-N
MW252.62 g/mol
LogP3.10
Rot. Bonds2

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

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 143960305) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID143960305
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3N2O/c1-2-7(16)15-8-6(10)3-5(4-14-8)9(11,12)13/h3-4H,2H2,1H3,(H,14,15,16)
InChIKeyCKMHMQRGWLPCDV-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pentanoate
CID 2405035
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpropanamide
CID 4188467
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3462491
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 142503793
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 142503751
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430013
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
CID 2464434
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 143960305) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is CKMHMQRGWLPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c1-2-7(16)15-8-6(10)3-5(4-14-8)9(11,12)13/h3-4H,2H2,1H3,(H,14,15,16).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 252.62 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 143960305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).