4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine

C19H15ClF2N4 — CID 156865919

IUPAC4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine
SMILESFC1(F)CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C19H15ClF2N4/c20-15-5-3-13(4-6-15)16-10-17(26-9-7-19(21,22)12-26)25-18(24-16)14-2-1-8-23-11-14/h1-6,8,10-11H,7,9,12H2
InChIKeyMIYBRWHGGYLAGL-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.70
Rot. Bonds3

About 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine

4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine (PubChem CID 156865919) has the molecular formula C19H15ClF2N4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine
PubChem CID156865919
Molecular FormulaC19H15ClF2N4
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine
SMILESFC1(F)CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)C1
InChIInChI=1S/C19H15ClF2N4/c20-15-5-3-13(4-6-15)16-10-17(26-9-7-19(21,22)12-26)25-18(24-16)14-2-1-8-23-11-14/h1-6,8,10-11H,7,9,12H2
InChIKeyMIYBRWHGGYLAGL-UHFFFAOYSA-N
XLogP4.70
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine (CID 156865919) is 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine is FC1(F)CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)n2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine?
The InChIKey is MIYBRWHGGYLAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4/c20-15-5-3-13(4-6-15)16-10-17(26-9-7-19(21,22)12-26)25-18(24-16)14-2-1-8-23-11-14/h1-6,8,10-11H,7,9,12H2.
What are the key properties of 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine?
4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine has a molecular weight of 372.81 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 156865919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).