6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C12H7ClF3N3O3 — CID 70691177

IUPAC6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H7ClF3N3O3/c13-10-6-5-9(19(20)21)11(18-10)17-7-1-3-8(4-2-7)22-12(14,15)16/h1-6H,(H,17,18)
InChIKeyNDFFSLCKTVSNMB-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.29
Rot. Bonds4

About 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 70691177) has the molecular formula C12H7ClF3N3O3 and a molecular weight of 333.65 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID70691177
Molecular FormulaC12H7ClF3N3O3
Molecular Weight333.65 g/mol
Exact Mass333.01
IUPAC Name6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H7ClF3N3O3/c13-10-6-5-9(19(20)21)11(18-10)17-7-1-3-8(4-2-7)22-12(14,15)16/h1-6H,(H,17,18)
InChIKeyNDFFSLCKTVSNMB-UHFFFAOYSA-N
XLogP4.29
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

CID 2848906
CID 2848906
CID 43152659
CID 43152659
CID 43330269
CID 43330269
CID 4197917
CID 4197917
CID 62003081
CID 62003081
CID 71523737
CID 71523737
CID 71523738
CID 71523738
CID 71523739
CID 71523739
CID 71524065
CID 71524065
CID 2959007
CID 2959007
CID 62483557
CID 62483557
CID 71523735
CID 71523735

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 70691177) is 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is NDFFSLCKTVSNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O3/c13-10-6-5-9(19(20)21)11(18-10)17-7-1-3-8(4-2-7)22-12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 333.65 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 70691177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).