(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol

C10H9BrClN3O — CID 103443544

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ncccc1Cl
InChIInChI=1S/C10H9BrClN3O/c1-15-9(6(11)5-14-15)10(16)8-7(12)3-2-4-13-8/h2-5,10,16H,1H3
InChIKeyNACFBCJMNZHTHQ-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.31
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol (PubChem CID 103443544) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
PubChem CID103443544
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
SMILESCn1ncc(Br)c1C(O)c1ncccc1Cl
InChIInChI=1S/C10H9BrClN3O/c1-15-9(6(11)5-14-15)10(16)8-7(12)3-2-4-13-8/h2-5,10,16H,1H3
InChIKeyNACFBCJMNZHTHQ-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645125
(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
CID 105132487
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
CID 114634352
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645127
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408313
(3-chloro-2-pyridinyl)-(2-ethylpyrazol-3-yl)methanol
CID 103443527
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol (CID 103443544) is (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol is Cn1ncc(Br)c1C(O)c1ncccc1Cl.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol?
The InChIKey is NACFBCJMNZHTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-15-9(6(11)5-14-15)10(16)8-7(12)3-2-4-13-8/h2-5,10,16H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol has a molecular weight of 302.56 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 103443544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).