2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid

C14H11ClN4O5 — CID 10360560

IUPAC2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid
SMILESO=C(O)CNc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN4O5/c15-8-1-4-12(17-6-8)18-14(22)10-3-2-9(19(23)24)5-11(10)16-7-13(20)21/h1-6,16H,7H2,(H,20,21)(H,17,18,22)
InChIKeyWPOYGNFABFKGOQ-UHFFFAOYSA-N
MW350.72 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid

2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid (PubChem CID 10360560) has the molecular formula C14H11ClN4O5 and a molecular weight of 350.72 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid
PubChem CID10360560
Molecular FormulaC14H11ClN4O5
Molecular Weight350.72 g/mol
Exact Mass350.04
IUPAC Name2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid
SMILESO=C(O)CNc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN4O5/c15-8-1-4-12(17-6-8)18-14(22)10-3-2-9(19(23)24)5-11(10)16-7-13(20)21/h1-6,16H,7H2,(H,20,21)(H,17,18,22)
InChIKeyWPOYGNFABFKGOQ-UHFFFAOYSA-N
XLogP2.39
TPSA134.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
CID 62242361
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
N-(5-chloro-2-pyridinyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1255270
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloro-4-nitrobenzamide
CID 79735970
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)-5-nitrobenzamide
CID 35022110
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
5-chloro-N-(5-nitro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 10358473
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid?
The IUPAC name of 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid (CID 10360560) is 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid.
What is the SMILES notation for 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid?
The canonical SMILES for 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid is O=C(O)CNc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid?
The InChIKey is WPOYGNFABFKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O5/c15-8-1-4-12(17-6-8)18-14(22)10-3-2-9(19(23)24)5-11(10)16-7-13(20)21/h1-6,16H,7H2,(H,20,21)(H,17,18,22).
What are the key properties of 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid?
2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid has a molecular weight of 350.72 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-nitroanilino]acetic acid is sourced from PubChem (CID 10360560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).