N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine

C14H14ClN3O3 — CID 172633062

IUPACN-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine
SMILESCCCOc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14ClN3O3/c1-2-7-21-14-6-4-11(9-16-14)17-12-8-10(15)3-5-13(12)18(19)20/h3-6,8-9,17H,2,7H2,1H3
InChIKeyOFRMGBJGYSBYHL-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.18
Rot. Bonds6

About N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine

N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine (PubChem CID 172633062) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine
PubChem CID172633062
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC NameN-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine
SMILESCCCOc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H14ClN3O3/c1-2-7-21-14-6-4-11(9-16-14)17-12-8-10(15)3-5-13(12)18(19)20/h3-6,8-9,17H,2,7H2,1H3
InChIKeyOFRMGBJGYSBYHL-UHFFFAOYSA-N
XLogP4.18
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.18
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-N-(5-chloro-2-nitrophenyl)benzene-1,4-diamine
CID 21327747
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CID 71236809
6-chloro-N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 86680902
2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol
CID 67099078
5-chloro-N-(1-methoxypentan-2-yl)-2-nitroaniline
CID 115469706
5-chloro-N-hexyl-2-nitroaniline
CID 43685977
4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 46467097
N-bromo-5-chloro-2-nitroaniline
CID 150892624
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-2-nitroaniline
CID 2855013
methyl 3-(4-butoxyanilino)-4-nitrobenzoate
CID 90371362
(2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]acetic acid
CID 20788456
2-[(6-methoxy-3-pyridinyl)amino]-5-nitrobenzonitrile
CID 9282965

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine (CID 172633062) is N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine is CCCOc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cn1.
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine?
The InChIKey is OFRMGBJGYSBYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-7-21-14-6-4-11(9-16-14)17-12-8-10(15)3-5-13(12)18(19)20/h3-6,8-9,17H,2,7H2,1H3.
What are the key properties of N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine?
N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine has a molecular weight of 307.74 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine is sourced from PubChem (CID 172633062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).