4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C13H10ClF3N4 — CID 59021481

IUPAC4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1cccnc1N1CCc2c(Cl)ncnc2C1
InChIInChI=1S/C13H10ClF3N4/c14-11-8-3-5-21(6-10(8)19-7-20-11)12-9(13(15,16)17)2-1-4-18-12/h1-2,4,7H,3,5-6H2
InChIKeyZICWDVSKOGCZJD-UHFFFAOYSA-N
MW314.70 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 59021481) has the molecular formula C13H10ClF3N4 and a molecular weight of 314.70 g/mol. Its IUPAC name is 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID59021481
Molecular FormulaC13H10ClF3N4
Molecular Weight314.70 g/mol
Exact Mass314.05
IUPAC Name4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1cccnc1N1CCc2c(Cl)ncnc2C1
InChIInChI=1S/C13H10ClF3N4/c14-11-8-3-5-21(6-10(8)19-7-20-11)12-9(13(15,16)17)2-1-4-18-12/h1-2,4,7H,3,5-6H2
InChIKeyZICWDVSKOGCZJD-UHFFFAOYSA-N
XLogP3.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-amine
CID 87632418
4-(4-tert-butylphenoxy)-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 11247378
4-chloro-2-propan-2-yl-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 86718472
4-(4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(trifluoromethyl)benzonitrile
CID 118545178
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 12004344
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093
N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 11489763
2-tert-butyl-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972728
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 82701748
2-chloro-4-methyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazine
CID 89165589
2-(methoxymethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 59021481) is 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is FC(F)(F)c1cccnc1N1CCc2c(Cl)ncnc2C1.
What is the InChIKey of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is ZICWDVSKOGCZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4/c14-11-8-3-5-21(6-10(8)19-7-20-11)12-9(13(15,16)17)2-1-4-18-12/h1-2,4,7H,3,5-6H2.
What are the key properties of 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 314.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 59021481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).