2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine

C16H13ClF2N4 — CID 91395346

IUPAC2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine
SMILESCc1nn(C)c(-c2ccnc(Cl)c2N)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2N4/c1-8-13(10-4-3-9(18)7-12(10)19)15(23(2)22-8)11-5-6-21-16(17)14(11)20/h3-7H,20H2,1-2H3
InChIKeySOAVBXPOJCKMEI-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.97
Rot. Bonds2

About 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine

2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine (PubChem CID 91395346) has the molecular formula C16H13ClF2N4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine
PubChem CID91395346
Molecular FormulaC16H13ClF2N4
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine
SMILESCc1nn(C)c(-c2ccnc(Cl)c2N)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2N4/c1-8-13(10-4-3-9(18)7-12(10)19)15(23(2)22-8)11-5-6-21-16(17)14(11)20/h3-7H,20H2,1-2H3
InChIKeySOAVBXPOJCKMEI-UHFFFAOYSA-N
XLogP3.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine (CID 91395346) is 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine is Cc1nn(C)c(-c2ccnc(Cl)c2N)c1-c1ccc(F)cc1F.
What is the InChIKey of 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
The InChIKey is SOAVBXPOJCKMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4/c1-8-13(10-4-3-9(18)7-12(10)19)15(23(2)22-8)11-5-6-21-16(17)14(11)20/h3-7H,20H2,1-2H3.
What are the key properties of 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine has a molecular weight of 334.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 91395346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).