3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine

C11H6BrF4N3 — CID 107643323

IUPAC3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2c(F)c(F)cc(F)c2F)c(Br)c1
InChIInChI=1S/C11H6BrF4N3/c12-5-1-4(17)3-18-11(5)19-10-8(15)6(13)2-7(14)9(10)16/h1-3H,17H2,(H,18,19)
InChIKeyCWHCKLDBIHFUEO-UHFFFAOYSA-N
MW336.09 g/mol
LogP3.73
Rot. Bonds2

About 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine

3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine (PubChem CID 107643323) has the molecular formula C11H6BrF4N3 and a molecular weight of 336.09 g/mol. Its IUPAC name is 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
PubChem CID107643323
Molecular FormulaC11H6BrF4N3
Molecular Weight336.09 g/mol
Exact Mass334.97
IUPAC Name3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2c(F)c(F)cc(F)c2F)c(Br)c1
InChIInChI=1S/C11H6BrF4N3/c12-5-1-4(17)3-18-11(5)19-10-8(15)6(13)2-7(14)9(10)16/h1-3H,17H2,(H,18,19)
InChIKeyCWHCKLDBIHFUEO-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.09
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647123
3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
CID 79532373
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 114254112
3-bromo-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,5-diamine
CID 79532026
3-bromo-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 114837355
3,5-dibromo-N-(2,4,6-trifluorophenyl)pyridin-2-amine
CID 113413846
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428
4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide
CID 93208845
4-methyl-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine
CID 107643308

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine (CID 107643323) is 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine is Nc1cnc(Nc2c(F)c(F)cc(F)c2F)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
The InChIKey is CWHCKLDBIHFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF4N3/c12-5-1-4(17)3-18-11(5)19-10-8(15)6(13)2-7(14)9(10)16/h1-3H,17H2,(H,18,19).
What are the key properties of 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine?
3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine has a molecular weight of 336.09 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 107643323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).