N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine

C10H14ClN3O2 — CID 43152647

IUPACN-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
SMILESCCCCN(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-3-4-7-13(2)10-8(14(15)16)5-6-9(11)12-10/h5-6H,3-4,7H2,1-2H3
InChIKeyHWWQBCAFVXNSTJ-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.88
Rot. Bonds5

About N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine

N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine (PubChem CID 43152647) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
PubChem CID43152647
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC NameN-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
SMILESCCCCN(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-3-4-7-13(2)10-8(14(15)16)5-6-9(11)12-10/h5-6H,3-4,7H2,1-2H3
InChIKeyHWWQBCAFVXNSTJ-UHFFFAOYSA-N
XLogP2.88
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
CID 61422627
6-chloro-3-nitro-2-propylpyridine
CID 20822926
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 43330314
3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 106917521
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435734
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81137666
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
methyl 4-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]butanoate
CID 81136505
6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
CID 62004028

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine (CID 43152647) is N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine is CCCCN(C)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine?
The InChIKey is HWWQBCAFVXNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-3-4-7-13(2)10-8(14(15)16)5-6-9(11)12-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine?
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine has a molecular weight of 243.69 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 43152647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).