N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine

C10H15ClN4O2 — CID 103911726

IUPACN-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-14(2)5-4-12-10-7-8(15(16)17)6-9(11)13-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWXEWDCMRNIVTNR-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.01
Rot. Bonds6

About N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 103911726) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID103911726
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC NameN-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H15ClN4O2/c1-3-14(2)5-4-12-10-7-8(15(16)17)6-9(11)13-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWXEWDCMRNIVTNR-UHFFFAOYSA-N
XLogP2.01
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635870
1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
CID 103888980
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
CID 114071065
N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
CID 103889042
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
N'-ethyl-N'-methyl-N-(2-methyl-4-nitrophenyl)ethane-1,2-diamine
CID 62640169

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 103911726) is N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is WXEWDCMRNIVTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-3-14(2)5-4-12-10-7-8(15(16)17)6-9(11)13-10/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 258.71 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103911726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).