2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine

C19H12ClN3 — CID 118874953

IUPAC2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)c2cccnc2n1
InChIInChI=1S/C19H12ClN3/c20-19-22-17(16-10-5-11-21-18(16)23-19)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-12H
InChIKeySTYOHIFAAJGOPT-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

About 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine

2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine (PubChem CID 118874953) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine
PubChem CID118874953
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)c2cccnc2n1
InChIInChI=1S/C19H12ClN3/c20-19-22-17(16-10-5-11-21-18(16)23-19)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-12H
InChIKeySTYOHIFAAJGOPT-UHFFFAOYSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine (CID 118874953) is 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine is Clc1nc(-c2cccc(-c3ccccc3)c2)c2cccnc2n1.
What is the InChIKey of 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine?
The InChIKey is STYOHIFAAJGOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-19-22-17(16-10-5-11-21-18(16)23-19)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine?
2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine has a molecular weight of 317.78 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 118874953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).