5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine

C10H14ClN3O2 — CID 115746996

IUPAC5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
SMILESCCC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-4-10(2,3)13-9-8(14(15)16)5-7(11)6-12-9/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyPFERMJGRGRMYMA-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.24
Rot. Bonds4

About 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine

5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine (PubChem CID 115746996) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
PubChem CID115746996
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
SMILESCCC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O2/c1-4-10(2,3)13-9-8(14(15)16)5-7(11)6-12-9/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyPFERMJGRGRMYMA-UHFFFAOYSA-N
XLogP3.24
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308283
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
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
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 115747035
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 103821386
5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine
CID 103081481
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine?
The IUPAC name of 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine (CID 115746996) is 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine is CCC(C)(C)Nc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine?
The InChIKey is PFERMJGRGRMYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-4-10(2,3)13-9-8(14(15)16)5-7(11)6-12-9/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine?
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine has a molecular weight of 243.69 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 115746996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).