4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid

C11H13BrN4O4 — CID 68730858

IUPAC4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H13BrN4O4/c12-7-5-9(16(19)20)10(13-6-7)14-8-1-3-15(4-2-8)11(17)18/h5-6,8H,1-4H2,(H,13,14)(H,17,18)
InChIKeySIARMCBGYZGKSG-UHFFFAOYSA-N
MW345.15 g/mol
LogP2.31
Rot. Bonds3

About 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid

4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid (PubChem CID 68730858) has the molecular formula C11H13BrN4O4 and a molecular weight of 345.15 g/mol. Its IUPAC name is 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid
PubChem CID68730858
Molecular FormulaC11H13BrN4O4
Molecular Weight345.15 g/mol
Exact Mass344.01
IUPAC Name4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H13BrN4O4/c12-7-5-9(16(19)20)10(13-6-7)14-8-1-3-15(4-2-8)11(17)18/h5-6,8H,1-4H2,(H,13,14)(H,17,18)
InChIKeySIARMCBGYZGKSG-UHFFFAOYSA-N
XLogP2.31
TPSA108.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 52.31
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-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61227666
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
4-N-(5-bromo-3-nitro-2-pyridinyl)-1-N-methylcyclohexane-1,4-diamine
CID 79110639
5-bromo-N-(4-methoxycyclohexyl)-3-nitropyridin-2-amine
CID 175928586
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
CID 81441566
5-bromo-3-nitro-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 169093551
5-bromo-N-(3,4-dimethylcyclohexyl)-3-nitropyridin-2-amine
CID 64744060
2-[[3-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061191
[4-[(5-chloro-3-nitro-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 170347516
tert-butyl N-[(1R,3S)-3-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclohexyl]carbamate
CID 170646256
[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362049
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid (CID 68730858) is 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid?
The InChIKey is SIARMCBGYZGKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O4/c12-7-5-9(16(19)20)10(13-6-7)14-8-1-3-15(4-2-8)11(17)18/h5-6,8H,1-4H2,(H,13,14)(H,17,18).
What are the key properties of 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid?
4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid has a molecular weight of 345.15 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68730858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).