6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine

C12H14ClN3O2 — CID 103889009

IUPAC6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC2(C3CC3)CC2)c1
InChIInChI=1S/C12H14ClN3O2/c13-10-5-9(16(17)18)6-11(15-10)14-7-12(3-4-12)8-1-2-8/h5-6,8H,1-4,7H2,(H,14,15)
InChIKeyVWWFRKYSTLIPGH-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.25
Rot. Bonds5

About 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine

6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine (PubChem CID 103889009) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
PubChem CID103889009
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC2(C3CC3)CC2)c1
InChIInChI=1S/C12H14ClN3O2/c13-10-5-9(16(17)18)6-11(15-10)14-7-12(3-4-12)8-1-2-8/h5-6,8H,1-4,7H2,(H,14,15)
InChIKeyVWWFRKYSTLIPGH-UHFFFAOYSA-N
XLogP3.25
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
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

1-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 113350219
6-chloro-N-[(1-methoxycyclobutyl)methyl]-4-nitropyridin-2-amine
CID 103989755
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
6-chloro-4-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 103888346
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
CID 106028372
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 103990720
6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 113346443
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
2-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-5-nitropyrimidin-4-amine
CID 114096267

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine (CID 103889009) is 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCC2(C3CC3)CC2)c1.
What is the InChIKey of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine?
The InChIKey is VWWFRKYSTLIPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-10-5-9(16(17)18)6-11(15-10)14-7-12(3-4-12)8-1-2-8/h5-6,8H,1-4,7H2,(H,14,15).
What are the key properties of 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine?
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine has a molecular weight of 267.72 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 103889009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).