4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol

C8H3ClF3N3O — CID 135394906

IUPAC4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol
SMILESOc1cncc2c(Cl)nc(C(F)(F)F)nc12
InChIInChI=1S/C8H3ClF3N3O/c9-6-3-1-13-2-4(16)5(3)14-7(15-6)8(10,11)12/h1-2,16H
InChIKeyQYNJXQNTDBBEAR-UHFFFAOYSA-N
MW249.58 g/mol
LogP2.40
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol

4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol (PubChem CID 135394906) has the molecular formula C8H3ClF3N3O and a molecular weight of 249.58 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol
PubChem CID135394906
Molecular FormulaC8H3ClF3N3O
Molecular Weight249.58 g/mol
Exact Mass248.99
IUPAC Name4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol
SMILESOc1cncc2c(Cl)nc(C(F)(F)F)nc12
InChIInChI=1S/C8H3ClF3N3O/c9-6-3-1-13-2-4(16)5(3)14-7(15-6)8(10,11)12/h1-2,16H
InChIKeyQYNJXQNTDBBEAR-UHFFFAOYSA-N
XLogP2.40
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol?
The IUPAC name of 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol (CID 135394906) is 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol is Oc1cncc2c(Cl)nc(C(F)(F)F)nc12.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol?
The InChIKey is QYNJXQNTDBBEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3O/c9-6-3-1-13-2-4(16)5(3)14-7(15-6)8(10,11)12/h1-2,16H.
What are the key properties of 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol?
4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol has a molecular weight of 249.58 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-8-ol is sourced from PubChem (CID 135394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).