3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

C9H8Cl2N4 — CID 2113451

IUPAC3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2ncc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C9H8Cl2N4/c1-5-2-8(15-14-5)13-9-7(11)3-6(10)4-12-9/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyREQVOWJLAZWGNX-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.16
Rot. Bonds2

About 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (PubChem CID 2113451) has the molecular formula C9H8Cl2N4 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
PubChem CID2113451
Molecular FormulaC9H8Cl2N4
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2ncc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C9H8Cl2N4/c1-5-2-8(15-14-5)13-9-7(11)3-6(10)4-12-9/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyREQVOWJLAZWGNX-UHFFFAOYSA-N
XLogP3.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (CID 2113451) is 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is Cc1cc(Nc2ncc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
The InChIKey is REQVOWJLAZWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4/c1-5-2-8(15-14-5)13-9-7(11)3-6(10)4-12-9/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?
3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine has a molecular weight of 243.10 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 2113451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).