6-nitro-3-pyridin-2-yl-1H-indol-2-amine

C13H10N4O2 — CID 4559736

IUPAC6-nitro-3-pyridin-2-yl-1H-indol-2-amine
SMILESNc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccn1
InChIInChI=1S/C13H10N4O2/c14-13-12(10-3-1-2-6-15-10)9-5-4-8(17(18)19)7-11(9)16-13/h1-7,16H,14H2
InChIKeyROWCHIVIVRDWSM-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.72
Rot. Bonds2

About 6-nitro-3-pyridin-2-yl-1H-indol-2-amine

6-nitro-3-pyridin-2-yl-1H-indol-2-amine (PubChem CID 4559736) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-nitro-3-pyridin-2-yl-1H-indol-2-amine.

Molecular Properties

Compound Name6-nitro-3-pyridin-2-yl-1H-indol-2-amine
PubChem CID4559736
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name6-nitro-3-pyridin-2-yl-1H-indol-2-amine
SMILESNc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccn1
InChIInChI=1S/C13H10N4O2/c14-13-12(10-3-1-2-6-15-10)9-5-4-8(17(18)19)7-11(9)16-13/h1-7,16H,14H2
InChIKeyROWCHIVIVRDWSM-UHFFFAOYSA-N
XLogP2.72
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
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

4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
6-Nitro-1H-indole
CID 78502
6-Nitrogramine
CID 23385
5-Nitro-2-(4-pyridinyl)-1H-benzimidazole
CID 617535
6-Nitro-2-(pyridin-3-yl)-1H-benzimidazole
CID 617536
3-(pyridin-4-yl)-1H-indol-6-amine
CID 44410928
4-Nitro-1H-indole
CID 145766
3-nitro-9H-pyrido[3,4-b]indole
CID 4713455
4-(2,4-dimethyl-1H-pyrrol-3-yl)-N-(3-nitrophenyl)pyrimidin-2-amine
CID 6539305
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8c
CID 6539307
6-(2-(1H-Indol-6-yl)ethyl)pyridin-2-amine
CID 11586735
3-(2-Dimethylaminoethyl)-5-(3-nitropyrid-2-ylamino)-1H-indole
CID 10381677

Frequently Asked Questions

What is the IUPAC name of 6-nitro-3-pyridin-2-yl-1H-indol-2-amine?
The IUPAC name of 6-nitro-3-pyridin-2-yl-1H-indol-2-amine (CID 4559736) is 6-nitro-3-pyridin-2-yl-1H-indol-2-amine.
What is the SMILES notation for 6-nitro-3-pyridin-2-yl-1H-indol-2-amine?
The canonical SMILES for 6-nitro-3-pyridin-2-yl-1H-indol-2-amine is Nc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccn1.
What is the InChIKey of 6-nitro-3-pyridin-2-yl-1H-indol-2-amine?
The InChIKey is ROWCHIVIVRDWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-13-12(10-3-1-2-6-15-10)9-5-4-8(17(18)19)7-11(9)16-13/h1-7,16H,14H2.
What are the key properties of 6-nitro-3-pyridin-2-yl-1H-indol-2-amine?
6-nitro-3-pyridin-2-yl-1H-indol-2-amine has a molecular weight of 254.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-3-pyridin-2-yl-1H-indol-2-amine is sourced from PubChem (CID 4559736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).