6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine

C13H18ClN3O2 — CID 63549781

IUPAC6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
SMILESCC1CCC(CNc2nc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-2-4-10(5-3-9)8-15-13-11(17(18)19)6-7-12(14)16-13/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)
InChIKeyGBOYRSLVFXIDEI-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.88
Rot. Bonds4

About 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine

6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine (PubChem CID 63549781) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
PubChem CID63549781
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
SMILESCC1CCC(CNc2nc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18ClN3O2/c1-9-2-4-10(5-3-9)8-15-13-11(17(18)19)6-7-12(14)16-13/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)
InChIKeyGBOYRSLVFXIDEI-UHFFFAOYSA-N
XLogP3.88
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.88
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

6-chloro-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 63705752
6-chloro-3-nitro-N-[[(2S)-oxetan-2-yl]methyl]pyridin-2-amine
CID 166095090
N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
CID 87810175
6-chloro-N-(1,3-dioxolan-2-ylmethyl)-3-nitropyridin-2-amine;2,6-dichloro-3-nitropyridine
CID 158566145
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
3-bromo-N-[(4-methylcyclohexyl)methyl]-5-nitropyridin-4-amine
CID 103519370

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine (CID 63549781) is 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine is CC1CCC(CNc2nc(Cl)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is GBOYRSLVFXIDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-2-4-10(5-3-9)8-15-13-11(17(18)19)6-7-12(14)16-13/h6-7,9-10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine?
6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 63549781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).