2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide

C13H10ClF3N4O2 — CID 25184910

IUPAC2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1
InChIInChI=1S/C13H10ClF3N4O2/c1-23-11-4-9(13(15,16)17)20-12(21-11)8-3-2-7(6-18-8)19-10(22)5-14/h2-4,6H,5H2,1H3,(H,19,22)
InChIKeyHQPHWNQQDMBMDB-UHFFFAOYSA-N
MW346.70 g/mol
LogP2.74
Rot. Bonds4

About 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide

2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide (PubChem CID 25184910) has the molecular formula C13H10ClF3N4O2 and a molecular weight of 346.70 g/mol. Its IUPAC name is 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
PubChem CID25184910
Molecular FormulaC13H10ClF3N4O2
Molecular Weight346.70 g/mol
Exact Mass346.04
IUPAC Name2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1
InChIInChI=1S/C13H10ClF3N4O2/c1-23-11-4-9(13(15,16)17)20-12(21-11)8-3-2-7(6-18-8)19-10(22)5-14/h2-4,6H,5H2,1H3,(H,19,22)
InChIKeyHQPHWNQQDMBMDB-UHFFFAOYSA-N
XLogP2.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide (CID 25184910) is 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide is COc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1.
What is the InChIKey of 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The InChIKey is HQPHWNQQDMBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O2/c1-23-11-4-9(13(15,16)17)20-12(21-11)8-3-2-7(6-18-8)19-10(22)5-14/h2-4,6H,5H2,1H3,(H,19,22).
What are the key properties of 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide?
2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide has a molecular weight of 346.70 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 25184910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).