N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine

C12H10ClN3O3 — CID 2849330

IUPACN-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl
InChIInChI=1S/C12H10ClN3O3/c1-19-11-4-2-8(6-10(11)13)15-12-5-3-9(7-14-12)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyLQZDTPZUQZXYKM-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.40
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine

N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine (PubChem CID 2849330) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine
PubChem CID2849330
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl
InChIInChI=1S/C12H10ClN3O3/c1-19-11-4-2-8(6-10(11)13)15-12-5-3-9(7-14-12)16(17)18/h2-7H,1H3,(H,14,15)
InChIKeyLQZDTPZUQZXYKM-UHFFFAOYSA-N
XLogP3.40
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.40
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

N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
N-(4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2848906
N-[2-(2-chlorophenoxy)ethyl]-5-nitro-2-pyridinamine
CID 2975218
N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5055605
N-(3-Chloro-4-methoxy-phenyl)-2-(2-methyl-5-nitro-imidazol-1-yl)-acetamide
CID 707268
3-Chloro-4-(pyrimidin-2-yloxy)aniline
CID 2763770
N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 2842434
1-(3-Chloro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790130
2-chloro-N-(3-chloro-4-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 145965791
N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-piperazin-1-ylpyrimidin-4-amine
CID 155545492
N-(2-methoxyphenyl)-5-nitropyridin-2-amine
CID 2849223
2-(4-Methoxyphenylamino)-6-chloro-3-nitropyridine
CID 43152659

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine (CID 2849330) is N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine is COc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine?
The InChIKey is LQZDTPZUQZXYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-19-11-4-2-8(6-10(11)13)15-12-5-3-9(7-14-12)16(17)18/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine?
N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine has a molecular weight of 279.68 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 2849330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).