6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine

C10H14ClN3O2 — CID 61167871

IUPAC6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
SMILESCC(C)(C)CNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-10(2,3)6-12-9-7(14(15)16)4-5-8(11)13-9/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyUDAQSCNILSVFCX-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.10
Rot. Bonds3

About 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine

6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine (PubChem CID 61167871) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
PubChem CID61167871
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
SMILESCC(C)(C)CNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-10(2,3)6-12-9-7(14(15)16)4-5-8(11)13-9/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyUDAQSCNILSVFCX-UHFFFAOYSA-N
XLogP3.10
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.10
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

ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
6-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 104829509
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
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6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
CID 63549781
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-(6-chloro-3-nitro-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 104820352

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine (CID 61167871) is 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine is CC(C)(C)CNc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
The InChIKey is UDAQSCNILSVFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-10(2,3)6-12-9-7(14(15)16)4-5-8(11)13-9/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine has a molecular weight of 243.69 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 61167871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).