(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone

C14H8BrN3O3 — CID 43340497

IUPAC(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1cncc(Br)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H8BrN3O3/c15-9-3-8(5-16-6-9)14(19)12-7-17-13-2-1-10(18(20)21)4-11(12)13/h1-7,17H
InChIKeyIWPNJNUHSMQVEO-UHFFFAOYSA-N
MW346.14 g/mol
LogP3.46
Rot. Bonds3

About (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone

(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone (PubChem CID 43340497) has the molecular formula C14H8BrN3O3 and a molecular weight of 346.14 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone
PubChem CID43340497
Molecular FormulaC14H8BrN3O3
Molecular Weight346.14 g/mol
Exact Mass344.97
IUPAC Name(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1cncc(Br)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H8BrN3O3/c15-9-3-8(5-16-6-9)14(19)12-7-17-13-2-1-10(18(20)21)4-11(12)13/h1-7,17H
InChIKeyIWPNJNUHSMQVEO-UHFFFAOYSA-N
XLogP3.46
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43340513
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(5-nitro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 62215299
2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 6887735
(2-methoxy-2-oxoethyl) 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
CID 10662398
6-nitro-3-pentanoyl-1H-quinolin-4-one
CID 44560519
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone (CID 43340497) is (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone is O=C(c1cncc(Br)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone?
The InChIKey is IWPNJNUHSMQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O3/c15-9-3-8(5-16-6-9)14(19)12-7-17-13-2-1-10(18(20)21)4-11(12)13/h1-7,17H.
What are the key properties of (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone?
(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone has a molecular weight of 346.14 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone is sourced from PubChem (CID 43340497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).