nitrous acid;4-(2H-pyridin-1-yl)aniline

C11H13N3O2 — CID 174418053

IUPACnitrous acid;4-(2H-pyridin-1-yl)aniline
SMILESNc1ccc(N2C=CC=CC2)cc1.O=NO
InChIInChI=1S/C11H12N2.HNO2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13;2-1-3/h1-8H,9,12H2;(H,2,3)
InChIKeyPPPFASDVVSOGFS-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.30
Rot. Bonds1

About nitrous acid;4-(2H-pyridin-1-yl)aniline

nitrous acid;4-(2H-pyridin-1-yl)aniline (PubChem CID 174418053) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is nitrous acid;4-(2H-pyridin-1-yl)aniline.

Molecular Properties

Compound Namenitrous acid;4-(2H-pyridin-1-yl)aniline
PubChem CID174418053
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namenitrous acid;4-(2H-pyridin-1-yl)aniline
SMILESNc1ccc(N2C=CC=CC2)cc1.O=NO
InChIInChI=1S/C11H12N2.HNO2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13;2-1-3/h1-8H,9,12H2;(H,2,3)
InChIKeyPPPFASDVVSOGFS-UHFFFAOYSA-N
XLogP2.30
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitrous acid;4-(2H-pyridin-1-yl)aniline?
The IUPAC name of nitrous acid;4-(2H-pyridin-1-yl)aniline (CID 174418053) is nitrous acid;4-(2H-pyridin-1-yl)aniline.
What is the SMILES notation for nitrous acid;4-(2H-pyridin-1-yl)aniline?
The canonical SMILES for nitrous acid;4-(2H-pyridin-1-yl)aniline is Nc1ccc(N2C=CC=CC2)cc1.O=NO.
What is the InChIKey of nitrous acid;4-(2H-pyridin-1-yl)aniline?
The InChIKey is PPPFASDVVSOGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.HNO2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13;2-1-3/h1-8H,9,12H2;(H,2,3).
What are the key properties of nitrous acid;4-(2H-pyridin-1-yl)aniline?
nitrous acid;4-(2H-pyridin-1-yl)aniline has a molecular weight of 219.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;4-(2H-pyridin-1-yl)aniline is sourced from PubChem (CID 174418053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).