5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine

C9H10ClF2N3O3 — CID 103081481

IUPAC5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NCCOCC(F)F
InChIInChI=1S/C9H10ClF2N3O3/c10-6-3-7(15(16)17)9(14-4-6)13-1-2-18-5-8(11)12/h3-4,8H,1-2,5H2,(H,13,14)
InChIKeyZOWCAMVXTWJUAJ-UHFFFAOYSA-N
MW281.65 g/mol
LogP2.34
Rot. Bonds7

About 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine

5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine (PubChem CID 103081481) has the molecular formula C9H10ClF2N3O3 and a molecular weight of 281.65 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine
PubChem CID103081481
Molecular FormulaC9H10ClF2N3O3
Molecular Weight281.65 g/mol
Exact Mass281.04
IUPAC Name5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NCCOCC(F)F
InChIInChI=1S/C9H10ClF2N3O3/c10-6-3-7(15(16)17)9(14-4-6)13-1-2-18-5-8(11)12/h3-4,8H,1-2,5H2,(H,13,14)
InChIKeyZOWCAMVXTWJUAJ-UHFFFAOYSA-N
XLogP2.34
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 52.34
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'}

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Related Compounds

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
6-[2-(2-methylpropoxy)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472107
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338860
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 103821386
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine (CID 103081481) is 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)cnc1NCCOCC(F)F.
What is the InChIKey of 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine?
The InChIKey is ZOWCAMVXTWJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3O3/c10-6-3-7(15(16)17)9(14-4-6)13-1-2-18-5-8(11)12/h3-4,8H,1-2,5H2,(H,13,14).
What are the key properties of 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine?
5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine has a molecular weight of 281.65 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 103081481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).