3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine

C11H6ClF3N4O2 — CID 137348794

IUPAC3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N4O2/c12-7-4-6(11(13,14)15)5-17-9(7)18-10-8(19(20)21)2-1-3-16-10/h1-5H,(H,16,17,18)
InChIKeyOPIRLHGQOCBRTR-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.80
Rot. Bonds3

About 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 137348794) has the molecular formula C11H6ClF3N4O2 and a molecular weight of 318.64 g/mol. Its IUPAC name is 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID137348794
Molecular FormulaC11H6ClF3N4O2
Molecular Weight318.64 g/mol
Exact Mass318.01
IUPAC Name3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H6ClF3N4O2/c12-7-4-6(11(13,14)15)5-17-9(7)18-10-8(19(20)21)2-1-3-16-10/h1-5H,(H,16,17,18)
InChIKeyOPIRLHGQOCBRTR-UHFFFAOYSA-N
XLogP3.80
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-[3-(3-Chlorophenyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
CID 87550873
(5-Chloro-pyridin-2-yl)-(3,5-dinitro-pyridin-2-yl)-amine
CID 3097917
N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
CID 3146292
4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine
CID 4231448
N~1~-(2-chloro-6-nitrophenyl)-N~2~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine
CID 2765666
N1-(2-chloro-6-methylphenyl)-4-(5-nitro-2-pyridyl)-1-piperazinecarbothioamide
CID 2795859
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(2-nitrophenyl)-1,2-ethanediamine
CID 3704436
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine
CID 3773884
6-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-nitropyridin-2-amine
CID 145993995
N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 3097922
3,5-dichloro-N-pyridin-3-ylpyridin-2-amine
CID 2405674
N-[(4-chlorophenyl)methyl]-5-nitropyridin-2-amine
CID 2804600

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine (CID 137348794) is 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine is O=[N+]([O-])c1cccnc1Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OPIRLHGQOCBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N4O2/c12-7-4-6(11(13,14)15)5-17-9(7)18-10-8(19(20)21)2-1-3-16-10/h1-5H,(H,16,17,18).
What are the key properties of 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 318.64 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-nitro-2-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 137348794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).