2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid

C14H13N3O4 — CID 61218906

IUPAC2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4/c18-14(19)12-2-1-8-15-13(12)16-9-7-10-3-5-11(6-4-10)17(20)21/h1-6,8H,7,9H2,(H,15,16)(H,18,19)
InChIKeyFGQGUAOVVOHWSK-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid

2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 61218906) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID61218906
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4/c18-14(19)12-2-1-8-15-13(12)16-9-7-10-3-5-11(6-4-10)17(20)21/h1-6,8H,7,9H2,(H,15,16)(H,18,19)
InChIKeyFGQGUAOVVOHWSK-UHFFFAOYSA-N
XLogP2.34
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-[2-[(3-nitro-2-pyridinyl)amino]ethyl]benzoic acid
CID 43227037
N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
2-chloro-N-[2-(4-nitrophenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 150535612
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
4-nitro-2-(2-phenylethylamino)benzoic acid
CID 24749556
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
3-[(4-nitrophenyl)methylamino]pyrazine-2-carboxylic acid
CID 62711144
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid (CID 61218906) is 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is FGQGUAOVVOHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-14(19)12-2-1-8-15-13(12)16-9-7-10-3-5-11(6-4-10)17(20)21/h1-6,8H,7,9H2,(H,15,16)(H,18,19).
What are the key properties of 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid?
2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61218906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).