4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid

C10H11ClF3N3O2 — CID 175873513

IUPAC4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1nc(Cl)c2c(n1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10ClN3.C2HF3O2/c1-5-11-7-2-3-10-4-6(7)8(9)12-5;3-2(4,5)1(6)7/h10H,2-4H2,1H3;(H,6,7)
InChIKeyILKCJVISGHTLCG-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.72
Rot. Bonds

About 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid

4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 175873513) has the molecular formula C10H11ClF3N3O2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID175873513
Molecular FormulaC10H11ClF3N3O2
Molecular Weight297.66 g/mol
Exact Mass297.05
IUPAC Name4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESCc1nc(Cl)c2c(n1)CCNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H10ClN3.C2HF3O2/c1-5-11-7-2-3-10-4-6(7)8(9)12-5;3-2(4,5)1(6)7/h10H,2-4H2,1H3;(H,6,7)
InChIKeyILKCJVISGHTLCG-UHFFFAOYSA-N
XLogP1.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid (CID 175873513) is 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid is Cc1nc(Cl)c2c(n1)CCNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is ILKCJVISGHTLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3.C2HF3O2/c1-5-11-7-2-3-10-4-6(7)8(9)12-5;3-2(4,5)1(6)7/h10H,2-4H2,1H3;(H,6,7).
What are the key properties of 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 297.66 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175873513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).