(5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol

C10H9Cl2N3O — CID 178030710

IUPAC(5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol
SMILESCn1ncc(C(O)c2cccc(Cl)n2)c1Cl
InChIInChI=1S/C10H9Cl2N3O/c1-15-10(12)6(5-13-15)9(16)7-3-2-4-8(11)14-7/h2-5,9,16H,1H3
InChIKeyJRCJUTAAVHDCHF-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.20
Rot. Bonds2

About (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol

(5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol (PubChem CID 178030710) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol
PubChem CID178030710
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol
SMILESCn1ncc(C(O)c2cccc(Cl)n2)c1Cl
InChIInChI=1S/C10H9Cl2N3O/c1-15-10(12)6(5-13-15)9(16)7-3-2-4-8(11)14-7/h2-5,9,16H,1H3
InChIKeyJRCJUTAAVHDCHF-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.20
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 (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol?
The IUPAC name of (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol (CID 178030710) is (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol?
The canonical SMILES for (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol is Cn1ncc(C(O)c2cccc(Cl)n2)c1Cl.
What is the InChIKey of (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol?
The InChIKey is JRCJUTAAVHDCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-10(12)6(5-13-15)9(16)7-3-2-4-8(11)14-7/h2-5,9,16H,1H3.
What are the key properties of (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol?
(5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol has a molecular weight of 258.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylpyrazol-4-yl)-(6-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 178030710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).