CID 172837950

C15H12FN5Na — CID 172837950

IUPAC—
SMILESNc1nc(N)c(-c2ccncc2)c(-c2cccc(F)c2)n1.[Na]
InChIInChI=1S/C15H12FN5.Na/c16-11-3-1-2-10(8-11)13-12(9-4-6-19-7-5-9)14(17)21-15(18)20-13;/h1-8H,(H4,17,18,20,21);
InChIKeyWKIJANLWKZSRIE-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.13
Rot. Bonds2

About CID 172837950

CID 172837950 (PubChem CID 172837950) has the molecular formula C15H12FN5Na and a molecular weight of 304.28 g/mol.

Molecular Properties

Compound NameCID 172837950
PubChem CID172837950
Molecular FormulaC15H12FN5Na
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name—
SMILESNc1nc(N)c(-c2ccncc2)c(-c2cccc(F)c2)n1.[Na]
InChIInChI=1S/C15H12FN5.Na/c16-11-3-1-2-10(8-11)13-12(9-4-6-19-7-5-9)14(17)21-15(18)20-13;/h1-8H,(H4,17,18,20,21);
InChIKeyWKIJANLWKZSRIE-UHFFFAOYSA-N
XLogP2.13
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 172837950?
The IUPAC name of CID 172837950 (CID 172837950) is not available.
What is the SMILES notation for CID 172837950?
The canonical SMILES for CID 172837950 is Nc1nc(N)c(-c2ccncc2)c(-c2cccc(F)c2)n1.[Na].
What is the InChIKey of CID 172837950?
The InChIKey is WKIJANLWKZSRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5.Na/c16-11-3-1-2-10(8-11)13-12(9-4-6-19-7-5-9)14(17)21-15(18)20-13;/h1-8H,(H4,17,18,20,21);.
What are the key properties of CID 172837950?
CID 172837950 has a molecular weight of 304.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172837950 is sourced from PubChem (CID 172837950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).