3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H12N4O2 — CID 146271561

IUPAC3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1c[nH]c2nc(Nc3ccccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C14H12N4O2/c1-9-8-15-14-10(9)6-7-13(17-14)16-11-4-2-3-5-12(11)18(19)20/h2-8H,1H3,(H2,15,16,17)
InChIKeyDQKDHUKUFCHWMS-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.52
Rot. Bonds3

About 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 146271561) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID146271561
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1c[nH]c2nc(Nc3ccccc3[N+](=O)[O-])ccc12
InChIInChI=1S/C14H12N4O2/c1-9-8-15-14-10(9)6-7-13(17-14)16-11-4-2-3-5-12(11)18(19)20/h2-8H,1H3,(H2,15,16,17)
InChIKeyDQKDHUKUFCHWMS-UHFFFAOYSA-N
XLogP3.52
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.52
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

6-methyl-N-(2-nitrophenyl)pyridin-2-amine
CID 69251400
N-(2-nitrophenyl)quinolin-2-amine
CID 54688542
(3,5-dimethoxyphenyl)-[6-(2-methyl-6-nitroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 146271564
2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
CID 142742599
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
5-(2-nitroanilino)pyrazine-2-carboxamide
CID 58993790
3-fluoro-2-methyl-N-(2-nitrophenyl)aniline
CID 68895859
3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028
3-chloro-4-methyl-N-(2-nitrophenyl)aniline
CID 12710588
[5-(2-nitroanilino)pyrazine-2-carbonyl]azanide;yttrium
CID 58993789
4-methyl-1-N-(2-nitrophenyl)benzene-1,2-diamine
CID 89316368
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 146271561) is 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Cc1c[nH]c2nc(Nc3ccccc3[N+](=O)[O-])ccc12.
What is the InChIKey of 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is DQKDHUKUFCHWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-8-15-14-10(9)6-7-13(17-14)16-11-4-2-3-5-12(11)18(19)20/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 268.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 146271561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).