N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide

C10H6ClF2N3O — CID 58845175

IUPACN-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide
SMILESO=C(Nc1cnc(Cl)nc1)C1=CC(F)=C(F)C1
InChIInChI=1S/C10H6ClF2N3O/c11-10-14-3-6(4-15-10)16-9(17)5-1-7(12)8(13)2-5/h1,3-4H,2H2,(H,16,17)
InChIKeyAGHPHTGFUYYYQD-UHFFFAOYSA-N
MW257.63 g/mol
LogP2.55
Rot. Bonds2

About N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide

N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide (PubChem CID 58845175) has the molecular formula C10H6ClF2N3O and a molecular weight of 257.63 g/mol. Its IUPAC name is N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide
PubChem CID58845175
Molecular FormulaC10H6ClF2N3O
Molecular Weight257.63 g/mol
Exact Mass257.02
IUPAC NameN-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide
SMILESO=C(Nc1cnc(Cl)nc1)C1=CC(F)=C(F)C1
InChIInChI=1S/C10H6ClF2N3O/c11-10-14-3-6(4-15-10)16-9(17)5-1-7(12)8(13)2-5/h1,3-4H,2H2,(H,16,17)
InChIKeyAGHPHTGFUYYYQD-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide (CID 58845175) is N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide is O=C(Nc1cnc(Cl)nc1)C1=CC(F)=C(F)C1.
What is the InChIKey of N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide?
The InChIKey is AGHPHTGFUYYYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O/c11-10-14-3-6(4-15-10)16-9(17)5-1-7(12)8(13)2-5/h1,3-4H,2H2,(H,16,17).
What are the key properties of N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide?
N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide has a molecular weight of 257.63 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-5-yl)-3,4-difluorocyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 58845175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).