azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C8H7ClF3N4O+ — CID 135624385

IUPACazanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2ncc(Cl)cc12.[NH4+]
InChIInChI=1S/C8H3ClF3N3O.H3N/c9-3-1-4-5(13-2-3)14-7(8(10,11)12)15-6(4)16;/h1-2H,(H,13,14,15,16);1H3/p+1
InChIKeyAQEGFHDLILGBNL-UHFFFAOYSA-O
MW267.62 g/mol
LogP2.37
Rot. Bonds

About azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135624385) has the molecular formula C8H7ClF3N4O+ and a molecular weight of 267.62 g/mol. Its IUPAC name is azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Nameazanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135624385
Molecular FormulaC8H7ClF3N4O+
Molecular Weight267.62 g/mol
Exact Mass267.03
IUPAC Nameazanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2ncc(Cl)cc12.[NH4+]
InChIInChI=1S/C8H3ClF3N3O.H3N/c9-3-1-4-5(13-2-3)14-7(8(10,11)12)15-6(4)16;/h1-2H,(H,13,14,15,16);1H3/p+1
InChIKeyAQEGFHDLILGBNL-UHFFFAOYSA-O
XLogP2.37
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.62
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135624385) is azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(C(F)(F)F)nc2ncc(Cl)cc12.[NH4+].
What is the InChIKey of azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AQEGFHDLILGBNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H3ClF3N3O.H3N/c9-3-1-4-5(13-2-3)14-7(8(10,11)12)15-6(4)16;/h1-2H,(H,13,14,15,16);1H3/p+1.
What are the key properties of azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 267.62 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135624385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).