5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide

C14H10ClF3N2O — CID 171682359

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C14H10ClF3N2O/c1-19-13(21)12-5-2-8(7-20-12)10-6-9(14(16,17)18)3-4-11(10)15/h2-7H,1H3,(H,19,21)
InChIKeyRHDFVCAVKISSHV-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.78
Rot. Bonds2

About 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 171682359) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide
PubChem CID171682359
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C14H10ClF3N2O/c1-19-13(21)12-5-2-8(7-20-12)10-6-9(14(16,17)18)3-4-11(10)15/h2-7H,1H3,(H,19,21)
InChIKeyRHDFVCAVKISSHV-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide
CID 152592478
5-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-methylpyridine-2-carboxamide
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N-[4-chloro-3-[2-(methylamino)quinazolin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58829369
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CID 103745352
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CID 51368412
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
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CID 109183964
5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109196096
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183554
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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide (CID 171682359) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is RHDFVCAVKISSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-19-13(21)12-5-2-8(7-20-12)10-6-9(14(16,17)18)3-4-11(10)15/h2-7H,1H3,(H,19,21).
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide?
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 314.69 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171682359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).