5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C11H7ClF2N4O2 — CID 147638906

IUPAC5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3CC3(F)F)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C11H7ClF2N4O2/c12-8-4(6-2-11(6,13)14)1-7(17-18-8)5-3-15-10(20)16-9(5)19/h1,3,6H,2H2,(H2,15,16,19,20)/t6-/m1/s1
InChIKeyGHFINTIJIZWNDC-ZCFIWIBFSA-N
MW300.65 g/mol
LogP1.30
Rot. Bonds2

About 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 147638906) has the molecular formula C11H7ClF2N4O2 and a molecular weight of 300.65 g/mol. Its IUPAC name is 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID147638906
Molecular FormulaC11H7ClF2N4O2
Molecular Weight300.65 g/mol
Exact Mass300.02
IUPAC Name5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3CC3(F)F)c(Cl)nn2)c(=O)[nH]1
InChIInChI=1S/C11H7ClF2N4O2/c12-8-4(6-2-11(6,13)14)1-7(17-18-8)5-3-15-10(20)16-9(5)19/h1,3,6H,2H2,(H2,15,16,19,20)/t6-/m1/s1
InChIKeyGHFINTIJIZWNDC-ZCFIWIBFSA-N
XLogP1.30
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.65
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 147638906) is 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3CC3(F)F)c(Cl)nn2)c(=O)[nH]1.
What is the InChIKey of 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GHFINTIJIZWNDC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H7ClF2N4O2/c12-8-4(6-2-11(6,13)14)1-7(17-18-8)5-3-15-10(20)16-9(5)19/h1,3,6H,2H2,(H2,15,16,19,20)/t6-/m1/s1.
What are the key properties of 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 300.65 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(1R)-2,2-difluorocyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 147638906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).