CID 102195437

C6H5N — CID 102195437

IUPAC—
SMILES[C]=C1C=CC=NC1
InChIInChI=1S/C6H5N/c1-6-3-2-4-7-5-6/h2-4H,5H2
InChIKeyXKKMBELIBKGEKO-UHFFFAOYSA-N
MW91.11 g/mol
LogP0.86
Rot. Bonds

About CID 102195437

CID 102195437 (PubChem CID 102195437) has the molecular formula C6H5N and a molecular weight of 91.11 g/mol.

Molecular Properties

Compound NameCID 102195437
PubChem CID102195437
Molecular FormulaC6H5N
Molecular Weight91.11 g/mol
Exact Mass91.04
IUPAC Name—
SMILES[C]=C1C=CC=NC1
InChIInChI=1S/C6H5N/c1-6-3-2-4-7-5-6/h2-4H,5H2
InChIKeyXKKMBELIBKGEKO-UHFFFAOYSA-N
XLogP0.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102195437?
The IUPAC name of CID 102195437 (CID 102195437) is not available.
What is the SMILES notation for CID 102195437?
The canonical SMILES for CID 102195437 is [C]=C1C=CC=NC1.
What is the InChIKey of CID 102195437?
The InChIKey is XKKMBELIBKGEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N/c1-6-3-2-4-7-5-6/h2-4H,5H2.
What are the key properties of CID 102195437?
CID 102195437 has a molecular weight of 91.11 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102195437 is sourced from PubChem (CID 102195437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).