pyrene;pyridin-2-amine

C21H16N2 — CID 161074753

IUPACpyrene;pyridin-2-amine
SMILESNc1ccccn1.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C5H6N2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;6-5-3-1-2-4-7-5/h1-10H;1-4H,(H2,6,7)
InChIKeyUFCRZFLOWMPSKS-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.25
Rot. Bonds

About pyrene;pyridin-2-amine

pyrene;pyridin-2-amine (PubChem CID 161074753) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is pyrene;pyridin-2-amine.

Molecular Properties

Compound Namepyrene;pyridin-2-amine
PubChem CID161074753
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Namepyrene;pyridin-2-amine
SMILESNc1ccccn1.c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.C5H6N2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;6-5-3-1-2-4-7-5/h1-10H;1-4H,(H2,6,7)
InChIKeyUFCRZFLOWMPSKS-UHFFFAOYSA-N
XLogP5.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 54608459
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CID 139240178
fluoroform;pyridin-2-amine
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CID 160763675
CID 160763675
ethanol;pyridin-2-amine
CID 69424063
prop-1-ene;bis(pyridin-2-amine)
CID 19911264
pyrene;quinoxaline
CID 160801316
4-methylpyrimidin-2-amine;pyridin-2-amine
CID 174965113
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CID 66677785
ethylbenzene;pyridin-2-amine
CID 145008383
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Frequently Asked Questions

What is the IUPAC name of pyrene;pyridin-2-amine?
The IUPAC name of pyrene;pyridin-2-amine (CID 161074753) is pyrene;pyridin-2-amine.
What is the SMILES notation for pyrene;pyridin-2-amine?
The canonical SMILES for pyrene;pyridin-2-amine is Nc1ccccn1.c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of pyrene;pyridin-2-amine?
The InChIKey is UFCRZFLOWMPSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C5H6N2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;6-5-3-1-2-4-7-5/h1-10H;1-4H,(H2,6,7).
What are the key properties of pyrene;pyridin-2-amine?
pyrene;pyridin-2-amine has a molecular weight of 296.37 g/mol, XLogP of 5.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene;pyridin-2-amine is sourced from PubChem (CID 161074753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).