(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol

C10H9Cl2N3O — CID 79780527

IUPAC(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-6(3-14-15)10(16)9-8(12)2-7(11)4-13-9/h2-5,10,16H,1H3
InChIKeyFFLYGQPESQTIMN-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.20
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol

(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 79780527) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID79780527
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ncc(Cl)cc2Cl)cn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-5-6(3-14-15)10(16)9-8(12)2-7(11)4-13-9/h2-5,10,16H,1H3
InChIKeyFFLYGQPESQTIMN-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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol (CID 79780527) is (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ncc(Cl)cc2Cl)cn1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is FFLYGQPESQTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-5-6(3-14-15)10(16)9-8(12)2-7(11)4-13-9/h2-5,10,16H,1H3.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol?
(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)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 (3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 79780527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).