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

C11H7ClF2N2 — CID 96591103

IUPAC2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine
SMILESNc1c(-c2cc(F)cc(F)c2)ccnc1Cl
InChIInChI=1S/C11H7ClF2N2/c12-11-10(15)9(1-2-16-11)6-3-7(13)5-8(14)4-6/h1-5H,15H2
InChIKeyVZZWZWNRFXBDFQ-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.26
Rot. Bonds1

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

2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine (PubChem CID 96591103) has the molecular formula C11H7ClF2N2 and a molecular weight of 240.64 g/mol. Its IUPAC name is 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine
PubChem CID96591103
Molecular FormulaC11H7ClF2N2
Molecular Weight240.64 g/mol
Exact Mass240.03
IUPAC Name2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine
SMILESNc1c(-c2cc(F)cc(F)c2)ccnc1Cl
InChIInChI=1S/C11H7ClF2N2/c12-11-10(15)9(1-2-16-11)6-3-7(13)5-8(14)4-6/h1-5H,15H2
InChIKeyVZZWZWNRFXBDFQ-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine (CID 96591103) is 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine is Nc1c(-c2cc(F)cc(F)c2)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine?
The InChIKey is VZZWZWNRFXBDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2/c12-11-10(15)9(1-2-16-11)6-3-7(13)5-8(14)4-6/h1-5H,15H2.
What are the key properties of 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine?
2-chloro-4-(3,5-difluorophenyl)pyridin-3-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 2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine is sourced from PubChem (CID 96591103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).