5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine

C10H14ClN3O3 — CID 104576952

IUPAC5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
SMILESCC(C)OCCNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O3/c1-7(2)17-4-3-12-10-9(14(15)16)5-8(11)6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyYTWOWVSCHRWQIJ-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.48
Rot. Bonds6

About 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine

5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine (PubChem CID 104576952) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
PubChem CID104576952
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
SMILESCC(C)OCCNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O3/c1-7(2)17-4-3-12-10-9(14(15)16)5-8(11)6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyYTWOWVSCHRWQIJ-UHFFFAOYSA-N
XLogP2.48
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine
CID 103081481
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338860
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 103821386
N-[(4-chloro-2-nitrophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104760058
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine (CID 104576952) is 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine is CC(C)OCCNc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The InChIKey is YTWOWVSCHRWQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-7(2)17-4-3-12-10-9(14(15)16)5-8(11)6-13-10/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine has a molecular weight of 259.69 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine is sourced from PubChem (CID 104576952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).