(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol

C13H12ClNO — CID 114980240

IUPAC(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
SMILESCc1cccc(C(O)c2cccnc2)c1Cl
InChIInChI=1S/C13H12ClNO/c1-9-4-2-6-11(12(9)14)13(16)10-5-3-7-15-8-10/h2-8,13,16H,1H3
InChIKeyBAKTZIPMFAXDJV-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.13
Rot. Bonds2

About (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol

(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol (PubChem CID 114980240) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
PubChem CID114980240
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
SMILESCc1cccc(C(O)c2cccnc2)c1Cl
InChIInChI=1S/C13H12ClNO/c1-9-4-2-6-11(12(9)14)13(16)10-5-3-7-15-8-10/h2-8,13,16H,1H3
InChIKeyBAKTZIPMFAXDJV-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(R)-(2-fluoro-3-pyridinyl)-pyridin-3-ylmethanol
CID 86334771
(2-chloro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068641
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
2-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 69484555
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781644
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903
(2-cyclopropylphenyl)-pyridin-3-ylmethanol
CID 79982582

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol (CID 114980240) is (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol is Cc1cccc(C(O)c2cccnc2)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol?
The InChIKey is BAKTZIPMFAXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-4-2-6-11(12(9)14)13(16)10-5-3-7-15-8-10/h2-8,13,16H,1H3.
What are the key properties of (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol?
(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol has a molecular weight of 233.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 114980240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).