(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol

C10H7ClF3NO — CID 42544002

IUPAC(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
SMILESC[C@@H](O)C#Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3NO/c1-6(16)2-3-9-8(11)4-7(5-15-9)10(12,13)14/h4-6,16H,1H3/t6-/m1/s1
InChIKeyKJCIABAWPAIOIT-ZCFIWIBFSA-N
MW249.62 g/mol
LogP2.49
Rot. Bonds

About (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol

(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol (PubChem CID 42544002) has the molecular formula C10H7ClF3NO and a molecular weight of 249.62 g/mol. Its IUPAC name is (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
PubChem CID42544002
Molecular FormulaC10H7ClF3NO
Molecular Weight249.62 g/mol
Exact Mass249.02
IUPAC Name(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
SMILESC[C@@H](O)C#Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3NO/c1-6(16)2-3-9-8(11)4-7(5-15-9)10(12,13)14/h4-6,16H,1H3/t6-/m1/s1
InChIKeyKJCIABAWPAIOIT-ZCFIWIBFSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
CID 67393181
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol
CID 122242546
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
The IUPAC name of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol (CID 42544002) is (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol.
What is the SMILES notation for (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
The canonical SMILES for (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol is C[C@@H](O)C#Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
The InChIKey is KJCIABAWPAIOIT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H7ClF3NO/c1-6(16)2-3-9-8(11)4-7(5-15-9)10(12,13)14/h4-6,16H,1H3/t6-/m1/s1.
What are the key properties of (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol has a molecular weight of 249.62 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol is sourced from PubChem (CID 42544002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).