6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine

C12H8ClF2N3O3 — CID 43330240

IUPAC6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H8ClF2N3O3/c13-10-6-5-9(18(19)20)11(17-10)16-7-1-3-8(4-2-7)21-12(14)15/h1-6,12H,(H,16,17)
InChIKeySDAICJBTXNCMPT-UHFFFAOYSA-N
MW315.66 g/mol
LogP3.99
Rot. Bonds5

About 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine

6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine (PubChem CID 43330240) has the molecular formula C12H8ClF2N3O3 and a molecular weight of 315.66 g/mol. Its IUPAC name is 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
PubChem CID43330240
Molecular FormulaC12H8ClF2N3O3
Molecular Weight315.66 g/mol
Exact Mass315.02
IUPAC Name6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H8ClF2N3O3/c13-10-6-5-9(18(19)20)11(17-10)16-7-1-3-8(4-2-7)21-12(14)15/h1-6,12H,(H,16,17)
InChIKeySDAICJBTXNCMPT-UHFFFAOYSA-N
XLogP3.99
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.66
LogP ≤ 53.99
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

6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 43330290
6-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330241
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 43330264
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617217
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067
1-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366553
[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol
CID 171496139
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
CID 113452360
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N-ethyl-4-N-(2-fluoroethyl)benzene-1,4-diamine
CID 140572053
N-(1,3-benzodioxol-5-yl)-6-chloro-3-nitropyridin-2-amine
CID 21329321
4-N-[4-(difluoromethoxy)phenyl]-5-nitropyrimidine-4,6-diamine
CID 80757754
3,5-dichloro-N-[4-(difluoromethoxy)phenyl]-6-hydrazinylpyridin-2-amine
CID 102762170

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine (CID 43330240) is 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine?
The InChIKey is SDAICJBTXNCMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O3/c13-10-6-5-9(18(19)20)11(17-10)16-7-1-3-8(4-2-7)21-12(14)15/h1-6,12H,(H,16,17).
What are the key properties of 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine?
6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine has a molecular weight of 315.66 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 43330240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).