CID 143307385

C9H10BN2O2P — CID 143307385

IUPAC—
SMILES[B]c1cc2c(cc1[N+](=O)[O-])CCN(P)C2
InChIInChI=1S/C9H10BN2O2P/c10-8-3-7-5-11(15)2-1-6(7)4-9(8)12(13)14/h3-4H,1-2,5,15H2
InChIKeyIHYCBDRQKJUQFJ-UHFFFAOYSA-N
MW219.98 g/mol
LogP0.54
Rot. Bonds1

About CID 143307385

CID 143307385 (PubChem CID 143307385) has the molecular formula C9H10BN2O2P and a molecular weight of 219.98 g/mol.

Molecular Properties

Compound NameCID 143307385
PubChem CID143307385
Molecular FormulaC9H10BN2O2P
Molecular Weight219.98 g/mol
Exact Mass220.06
IUPAC Name—
SMILES[B]c1cc2c(cc1[N+](=O)[O-])CCN(P)C2
InChIInChI=1S/C9H10BN2O2P/c10-8-3-7-5-11(15)2-1-6(7)4-9(8)12(13)14/h3-4H,1-2,5,15H2
InChIKeyIHYCBDRQKJUQFJ-UHFFFAOYSA-N
XLogP0.54
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.98
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7-nitro-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 156869890
7-fluoro-2-methyl-6-nitro-3,4-dihydro-1H-isoquinoline
CID 118550072
3-bromo-4-nitrobicyclo[4.2.0]octa-1,3,5-triene
CID 130836892
3-chloro-2-nitro-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 142365880
7-nitro-2-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline
CID 133350232
7-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-8-amine
CID 165113923
2-methoxy-7-methyl-3-nitro-5,6,8,9-tetrahydropyrido[2,3-d]azepine
CID 130228970
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carbonitrile
CID 140896354
2-(2-chloro-5-nitro-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 178182197
(E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-4-nitrophenyl)prop-2-en-1-one
CID 19974435
4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179
6-nitro-2-phosphanyl-3,4-dihydroisoquinolin-1-one
CID 58851470

Frequently Asked Questions

What is the IUPAC name of CID 143307385?
The IUPAC name of CID 143307385 (CID 143307385) is not available.
What is the SMILES notation for CID 143307385?
The canonical SMILES for CID 143307385 is [B]c1cc2c(cc1[N+](=O)[O-])CCN(P)C2.
What is the InChIKey of CID 143307385?
The InChIKey is IHYCBDRQKJUQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BN2O2P/c10-8-3-7-5-11(15)2-1-6(7)4-9(8)12(13)14/h3-4H,1-2,5,15H2.
What are the key properties of CID 143307385?
CID 143307385 has a molecular weight of 219.98 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143307385 is sourced from PubChem (CID 143307385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).