2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

C12H8ClF3N4O2 — CID 163252999

IUPAC2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(Cl)n1
InChIInChI=1S/C12H8ClF3N4O2/c1-22-9-5-7(19-11(13)20-9)10(21)18-6-2-3-17-8(4-6)12(14,15)16/h2-5H,1H3,(H,17,18,21)
InChIKeyZGSUJXNMMOVZLN-UHFFFAOYSA-N
MW332.67 g/mol
LogP2.80
Rot. Bonds3

About 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 163252999) has the molecular formula C12H8ClF3N4O2 and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
PubChem CID163252999
Molecular FormulaC12H8ClF3N4O2
Molecular Weight332.67 g/mol
Exact Mass332.03
IUPAC Name2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(Cl)n1
InChIInChI=1S/C12H8ClF3N4O2/c1-22-9-5-7(19-11(13)20-9)10(21)18-6-2-3-17-8(4-6)12(14,15)16/h2-5H,1H3,(H,17,18,21)
InChIKeyZGSUJXNMMOVZLN-UHFFFAOYSA-N
XLogP2.80
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005985
6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
2-(1-methylimidazol-2-yl)-6-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169006005
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 45141626
6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005996
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109221654
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (CID 163252999) is 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is ZGSUJXNMMOVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4O2/c1-22-9-5-7(19-11(13)20-9)10(21)18-6-2-3-17-8(4-6)12(14,15)16/h2-5H,1H3,(H,17,18,21).
What are the key properties of 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 332.67 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 163252999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).