(6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone

C13H7ClFN3O — CID 58386546

IUPAC(6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone
SMILESO=C(c1cc(Cl)ncn1)n1ccc2cc(F)ccc21
InChIInChI=1S/C13H7ClFN3O/c14-12-6-10(16-7-17-12)13(19)18-4-3-8-5-9(15)1-2-11(8)18/h1-7H
InChIKeyCZDLUKHQINQKRN-UHFFFAOYSA-N
MW275.67 g/mol
LogP2.91
Rot. Bonds1

About (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone

(6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone (PubChem CID 58386546) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone
PubChem CID58386546
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name(6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone
SMILESO=C(c1cc(Cl)ncn1)n1ccc2cc(F)ccc21
InChIInChI=1S/C13H7ClFN3O/c14-12-6-10(16-7-17-12)13(19)18-4-3-8-5-9(15)1-2-11(8)18/h1-7H
InChIKeyCZDLUKHQINQKRN-UHFFFAOYSA-N
XLogP2.91
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone?
The IUPAC name of (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone (CID 58386546) is (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone.
What is the SMILES notation for (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone?
The canonical SMILES for (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone is O=C(c1cc(Cl)ncn1)n1ccc2cc(F)ccc21.
What is the InChIKey of (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone?
The InChIKey is CZDLUKHQINQKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-12-6-10(16-7-17-12)13(19)18-4-3-8-5-9(15)1-2-11(8)18/h1-7H.
What are the key properties of (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone?
(6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone has a molecular weight of 275.67 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl)-(5-fluoroindol-1-yl)methanone is sourced from PubChem (CID 58386546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).