6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine

C6H4ClF2N3O2 — CID 119012355

IUPAC6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
SMILESNc1nc(Cl)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClF2N3O2/c7-4-2(5(8)9)1-3(12(13)14)6(10)11-4/h1,5H,(H2,10,11)
InChIKeyFOVPRADYTMJTOQ-UHFFFAOYSA-N
MW223.57 g/mol
LogP2.16
Rot. Bonds2

About 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine

6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine (PubChem CID 119012355) has the molecular formula C6H4ClF2N3O2 and a molecular weight of 223.57 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
PubChem CID119012355
Molecular FormulaC6H4ClF2N3O2
Molecular Weight223.57 g/mol
Exact Mass223.00
IUPAC Name6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
SMILESNc1nc(Cl)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClF2N3O2/c7-4-2(5(8)9)1-3(12(13)14)6(10)11-4/h1,5H,(H2,10,11)
InChIKeyFOVPRADYTMJTOQ-UHFFFAOYSA-N
XLogP2.16
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 52.16
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-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
5,6-dichloro-3-nitropyridin-2-amine
CID 15392047
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 119023564
4-(6-amino-2-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171901686
ethyl 3-(6-amino-2-chloro-5-nitro-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171866820
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
6-(difluoromethyl)-5-methoxy-3-nitropyridin-2-amine
CID 119002952
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine (CID 119012355) is 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine is Nc1nc(Cl)c(C(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine?
The InChIKey is FOVPRADYTMJTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O2/c7-4-2(5(8)9)1-3(12(13)14)6(10)11-4/h1,5H,(H2,10,11).
What are the key properties of 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine?
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine has a molecular weight of 223.57 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 119012355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).