2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine

C10H8ClFN4O — CID 104739155

IUPAC2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(-c2ccncc2F)n1
InChIInChI=1S/C10H8ClFN4O/c1-2-17-10-15-8(14-9(11)16-10)6-3-4-13-5-7(6)12/h3-5H,2H2,1H3
InChIKeyKYJORWYMNJHTFG-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine

2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine (PubChem CID 104739155) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine
PubChem CID104739155
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(-c2ccncc2F)n1
InChIInChI=1S/C10H8ClFN4O/c1-2-17-10-15-8(14-9(11)16-10)6-3-4-13-5-7(6)12/h3-5H,2H2,1H3
InChIKeyKYJORWYMNJHTFG-UHFFFAOYSA-N
XLogP2.12
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 113324560
2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
CID 66279714
2-chloro-4-ethoxy-6-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 102752863
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 116645207
4-chloro-2-ethoxy-5-fluoropyrimidine
CID 2762962
4-(3-fluoro-4-pyridinyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 104739326
2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734259
4-chloro-6-ethoxy-N-ethyl-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858407
6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 81221812
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859394
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 107576870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine (CID 104739155) is 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine is CCOc1nc(Cl)nc(-c2ccncc2F)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine?
The InChIKey is KYJORWYMNJHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c1-2-17-10-15-8(14-9(11)16-10)6-3-4-13-5-7(6)12/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine has a molecular weight of 254.65 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 104739155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).