[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol

C12H9ClF3N3O — CID 106972084

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol
SMILESCc1cnc(C(O)c2ccc(C(F)(F)F)nc2Cl)cn1
InChIInChI=1S/C12H9ClF3N3O/c1-6-4-18-8(5-17-6)10(20)7-2-3-9(12(14,15)16)19-11(7)13/h2-5,10,20H,1H3
InChIKeyXGWLFEZEZYXPPS-UHFFFAOYSA-N
MW303.67 g/mol
LogP2.93
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol (PubChem CID 106972084) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol
PubChem CID106972084
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol
SMILESCc1cnc(C(O)c2ccc(C(F)(F)F)nc2Cl)cn1
InChIInChI=1S/C12H9ClF3N3O/c1-6-4-18-8(5-17-6)10(20)7-2-3-9(12(14,15)16)19-11(7)13/h2-5,10,20H,1H3
InChIKeyXGWLFEZEZYXPPS-UHFFFAOYSA-N
XLogP2.93
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 52.93
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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Related Compounds

(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)pyridin-2-yl]-cyclobutanol
CID 71554839
TRPV3 antagonist 74a
CID 71554840
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 71554996
1-(6-(Trifluoromethyl)pyridin-3-yl)ethanol
CID 49760380
(2-Chloropyridin-3-yl)(2,4-difluorophenyl)methanol
CID 3061981
4-Hydroxymethyl-4'-methyl-2,2'-bipyridyl
CID 2754750
1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-(pyrid-3-yl)methanol
CID 10333259
[5-[(3-Chlorophenyl)methylamino]-2-pyridinyl]methanol
CID 12640218
(S)-(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 11020392
1-Piperazineethanol, 4-(m-chlorophenyl)-alpha-(3-pyridyl)-
CID 3044995
1-Piperazineethanol, 4-(p-chlorophenyl)-alpha-(3-pyridyl)-
CID 3044996

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol (CID 106972084) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol is Cc1cnc(C(O)c2ccc(C(F)(F)F)nc2Cl)cn1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol?
The InChIKey is XGWLFEZEZYXPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c1-6-4-18-8(5-17-6)10(20)7-2-3-9(12(14,15)16)19-11(7)13/h2-5,10,20H,1H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol has a molecular weight of 303.67 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylpyrazin-2-yl)methanol is sourced from PubChem (CID 106972084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).