(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol

C13H12ClNO — CID 105081367

IUPAC(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol
SMILESCc1ncccc1C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-9-12(6-3-7-15-9)13(16)10-4-2-5-11(14)8-10/h2-8,13,16H,1H3
InChIKeySFRKAHGHBJPEEW-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.13
Rot. Bonds2

About (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol

(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol (PubChem CID 105081367) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol
PubChem CID105081367
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol
SMILESCc1ncccc1C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO/c1-9-12(6-3-7-15-9)13(16)10-4-2-5-11(14)8-10/h2-8,13,16H,1H3
InChIKeySFRKAHGHBJPEEW-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

(3-ethylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105117216
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
(3-chlorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756107
(2-methylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105078767
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methanol
CID 105094321
2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 54314992
2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 54003137
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
(R)-(3-chlorophenyl)-(5-methyl-1,3-thiazol-4-yl)methanol
CID 175804483
2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
CID 54028820
(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 105097054

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol?
The IUPAC name of (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol (CID 105081367) is (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol?
The canonical SMILES for (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol is Cc1ncccc1C(O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol?
The InChIKey is SFRKAHGHBJPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-12(6-3-7-15-9)13(16)10-4-2-5-11(14)8-10/h2-8,13,16H,1H3.
What are the key properties of (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol?
(3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol 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 (3-chlorophenyl)-(2-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 105081367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).