N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine

C14H11N3O2S — CID 133318070

IUPACN-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESO=[N+]([O-])c1ccccc1CNc1ccnc2ccsc12
InChIInChI=1S/C14H11N3O2S/c18-17(19)13-4-2-1-3-10(13)9-16-11-5-7-15-12-6-8-20-14(11)12/h1-8H,9H2,(H,15,16)
InChIKeySATKALVTJVCAOM-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.82
Rot. Bonds4

About N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine

N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 133318070) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID133318070
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine
SMILESO=[N+]([O-])c1ccccc1CNc1ccnc2ccsc12
InChIInChI=1S/C14H11N3O2S/c18-17(19)13-4-2-1-3-10(13)9-16-11-5-7-15-12-6-8-20-14(11)12/h1-8H,9H2,(H,15,16)
InChIKeySATKALVTJVCAOM-UHFFFAOYSA-N
XLogP3.82
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
N-[(2-nitrophenyl)methyl]-5-pyridin-2-ylthiophen-3-amine
CID 174505679
N-[(3-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43426528
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
CID 28574528
2-(methylsulfonylmethyl)-N-[(2-nitrophenyl)methyl]aniline
CID 154749719
N-(imidazo[1,2-a]pyridin-7-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 166214091
N-[(2-nitrophenyl)methyl]quinolin-3-amine
CID 43691125
3-nitro-N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285246
2-bromo-4-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 43742189

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine (CID 133318070) is N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine is O=[N+]([O-])c1ccccc1CNc1ccnc2ccsc12.
What is the InChIKey of N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is SATKALVTJVCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-17(19)13-4-2-1-3-10(13)9-16-11-5-7-15-12-6-8-20-14(11)12/h1-8H,9H2,(H,15,16).
What are the key properties of N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine?
N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 285.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 133318070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).