4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine

C13H10ClF2N5 — CID 122654478

IUPAC4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine
SMILESNc1nc(C(F)F)cc(-c2cc(Cl)c3[nH]ncc3c2)c1N
InChIInChI=1S/C13H10ClF2N5/c14-8-2-5(1-6-4-19-21-11(6)8)7-3-9(12(15)16)20-13(18)10(7)17/h1-4,12H,17H2,(H2,18,20)(H,19,21)
InChIKeyWJARBJVQCCRQTA-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.38
Rot. Bonds2

About 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine

4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine (PubChem CID 122654478) has the molecular formula C13H10ClF2N5 and a molecular weight of 309.71 g/mol. Its IUPAC name is 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine
PubChem CID122654478
Molecular FormulaC13H10ClF2N5
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Name4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine
SMILESNc1nc(C(F)F)cc(-c2cc(Cl)c3[nH]ncc3c2)c1N
InChIInChI=1S/C13H10ClF2N5/c14-8-2-5(1-6-4-19-21-11(6)8)7-3-9(12(15)16)20-13(18)10(7)17/h1-4,12H,17H2,(H2,18,20)(H,19,21)
InChIKeyWJARBJVQCCRQTA-UHFFFAOYSA-N
XLogP3.38
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine (CID 122654478) is 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine is Nc1nc(C(F)F)cc(-c2cc(Cl)c3[nH]ncc3c2)c1N.
What is the InChIKey of 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine?
The InChIKey is WJARBJVQCCRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N5/c14-8-2-5(1-6-4-19-21-11(6)8)7-3-9(12(15)16)20-13(18)10(7)17/h1-4,12H,17H2,(H2,18,20)(H,19,21).
What are the key properties of 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine?
4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine has a molecular weight of 309.71 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 122654478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).