3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen

C7H7ClF3NO — CID 161307255

IUPAC3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
SMILESCOc1ncc(C(F)(F)F)cc1Cl.[H][H]
InChIInChI=1S/C7H5ClF3NO.H2/c1-13-6-5(8)2-4(3-12-6)7(9,10)11;/h2-3H,1H3;1H
InChIKeyVIKNGECJWGRVIZ-UHFFFAOYSA-N
MW213.59 g/mol
LogP3.01
Rot. Bonds1

About 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen

3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen (PubChem CID 161307255) has the molecular formula C7H7ClF3NO and a molecular weight of 213.59 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
PubChem CID161307255
Molecular FormulaC7H7ClF3NO
Molecular Weight213.59 g/mol
Exact Mass213.02
IUPAC Name3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
SMILESCOc1ncc(C(F)(F)F)cc1Cl.[H][H]
InChIInChI=1S/C7H5ClF3NO.H2/c1-13-6-5(8)2-4(3-12-6)7(9,10)11;/h2-3H,1H3;1H
InChIKeyVIKNGECJWGRVIZ-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699
1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53423580
(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen?
The IUPAC name of 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen (CID 161307255) is 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen.
What is the SMILES notation for 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen?
The canonical SMILES for 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen is COc1ncc(C(F)(F)F)cc1Cl.[H][H].
What is the InChIKey of 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen?
The InChIKey is VIKNGECJWGRVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO.H2/c1-13-6-5(8)2-4(3-12-6)7(9,10)11;/h2-3H,1H3;1H.
What are the key properties of 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen?
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen has a molecular weight of 213.59 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen is sourced from PubChem (CID 161307255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).