6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine

C12H16ClN3O2 — CID 114070824

IUPAC6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CC1)c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-8(2)15(7-9-3-4-9)12-6-10(16(17)18)5-11(13)14-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRLGPEEJYUZJIFA-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.27
Rot. Bonds5

About 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine

6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine (PubChem CID 114070824) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine
PubChem CID114070824
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CC1)c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-8(2)15(7-9-3-4-9)12-6-10(16(17)18)5-11(13)14-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyRLGPEEJYUZJIFA-UHFFFAOYSA-N
XLogP3.27
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.27
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-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
CID 103888875
6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine
CID 102809432
6-chloro-N-(cyclopropylmethyl)-2-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 115914744
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
3-[(6-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883
6-chloro-N-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80821545
5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 114919450
3-[(6-amino-4-nitro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 114071132
N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80905091
(1R)-1-[4-[cyclopropylmethyl(propan-2-yl)amino]-3-nitrophenyl]ethanol
CID 63372607
1-[5-[cyclopropylmethyl(propan-2-yl)amino]-4-nitrothiophen-2-yl]ethanol
CID 112623363

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine (CID 114070824) is 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine is CC(C)N(CC1CC1)c1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine?
The InChIKey is RLGPEEJYUZJIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(2)15(7-9-3-4-9)12-6-10(16(17)18)5-11(13)14-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine?
6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine has a molecular weight of 269.73 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114070824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).