1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate

C9H10ClN3O5 — CID 175137480

IUPAC1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate
SMILESCC(COc1ncc(Cl)cc1[N+](=O)[O-])OC(N)=O
InChIInChI=1S/C9H10ClN3O5/c1-5(18-9(11)14)4-17-8-7(13(15)16)2-6(10)3-12-8/h2-3,5H,4H2,1H3,(H2,11,14)
InChIKeyAPYHSSIYMSQYTQ-UHFFFAOYSA-N
MW275.65 g/mol
LogP1.51
Rot. Bonds5

About 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate

1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate (PubChem CID 175137480) has the molecular formula C9H10ClN3O5 and a molecular weight of 275.65 g/mol. Its IUPAC name is 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate.

Molecular Properties

Compound Name1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate
PubChem CID175137480
Molecular FormulaC9H10ClN3O5
Molecular Weight275.65 g/mol
Exact Mass275.03
IUPAC Name1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate
SMILESCC(COc1ncc(Cl)cc1[N+](=O)[O-])OC(N)=O
InChIInChI=1S/C9H10ClN3O5/c1-5(18-9(11)14)4-17-8-7(13(15)16)2-6(10)3-12-8/h2-3,5H,4H2,1H3,(H2,11,14)
InChIKeyAPYHSSIYMSQYTQ-UHFFFAOYSA-N
XLogP1.51
TPSA117.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 51.51
H-Bond Donors ≤ 51
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

5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
4-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-methyltriazet-2-amine
CID 71190455
1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate
CID 175531201
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
5-chloro-2-(3-methoxycyclobutyl)oxy-3-nitropyridine;ethane;methane
CID 142523619
6-butan-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 81437892
2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid
CID 104571916
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
CID 59849927
methyl 2-[4-[(5-chloro-3-nitro-2-pyridinyl)-ethylamino]phenoxy]propanoate
CID 70598985
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
2-methylpropyl 4-chloro-3,5-dinitrobenzoate
CID 3479605

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate?
The IUPAC name of 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate (CID 175137480) is 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate.
What is the SMILES notation for 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate?
The canonical SMILES for 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate is CC(COc1ncc(Cl)cc1[N+](=O)[O-])OC(N)=O.
What is the InChIKey of 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate?
The InChIKey is APYHSSIYMSQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O5/c1-5(18-9(11)14)4-17-8-7(13(15)16)2-6(10)3-12-8/h2-3,5H,4H2,1H3,(H2,11,14).
What are the key properties of 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate?
1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate has a molecular weight of 275.65 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate is sourced from PubChem (CID 175137480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).