3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine

C11H7ClF2N2 — CID 107476818

IUPAC3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H7ClF2N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16)
InChIKeyZGTNSXNDPAFKOC-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.26
Rot. Bonds1

About 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine

3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine (PubChem CID 107476818) has the molecular formula C11H7ClF2N2 and a molecular weight of 240.64 g/mol. Its IUPAC name is 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine
PubChem CID107476818
Molecular FormulaC11H7ClF2N2
Molecular Weight240.64 g/mol
Exact Mass240.03
IUPAC Name3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine
SMILESNc1ncccc1-c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H7ClF2N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16)
InChIKeyZGTNSXNDPAFKOC-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 115503110
3-(2,4,5-trichlorophenyl)pyridin-2-amine
CID 119020095
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
3-(5-chloro-2-methyl-4-pyridinyl)pyridin-2-amine
CID 143908292
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
3-(2-aminophenyl)pyridin-2-amine
CID 130114605
3-[3-(3,4-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114717143
5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine
CID 107476819
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635
1-(3-tert-butyl-2-fluorophenyl)-2-chloro-4,5-difluorobenzene
CID 118329281
1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene
CID 118336787
2-chloro-3-(2-fluorophenyl)pyridine
CID 46312040

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine?
The IUPAC name of 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine (CID 107476818) is 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine is Nc1ncccc1-c1cc(F)c(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine?
The InChIKey is ZGTNSXNDPAFKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2/c12-8-5-10(14)9(13)4-7(8)6-2-1-3-16-11(6)15/h1-5H,(H2,15,16).
What are the key properties of 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine?
3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine has a molecular weight of 240.64 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine is sourced from PubChem (CID 107476818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).