(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol

C20H14ClNO — CID 146508713

IUPAC(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)c1cc2ccccc2c2ccc(Cl)cc12
InChIInChI=1S/C20H14ClNO/c21-14-8-9-16-15-6-2-1-5-13(15)11-18(17(16)12-14)20(23)19-7-3-4-10-22-19/h1-12,20,23H
InChIKeyICIQXYYZVPQCKR-UHFFFAOYSA-N
MW319.79 g/mol
LogP5.12
Rot. Bonds2

About (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol

(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol (PubChem CID 146508713) has the molecular formula C20H14ClNO and a molecular weight of 319.79 g/mol. Its IUPAC name is (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol
PubChem CID146508713
Molecular FormulaC20H14ClNO
Molecular Weight319.79 g/mol
Exact Mass319.08
IUPAC Name(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)c1cc2ccccc2c2ccc(Cl)cc12
InChIInChI=1S/C20H14ClNO/c21-14-8-9-16-15-6-2-1-5-13(15)11-18(17(16)12-14)20(23)19-7-3-4-10-22-19/h1-12,20,23H
InChIKeyICIQXYYZVPQCKR-UHFFFAOYSA-N
XLogP5.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.79
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

phenanthren-9-yl(pyridin-2-yl)methanol
CID 178201671
6-chloro-3-[hydroxy(pyridin-2-yl)methyl]chromen-4-one
CID 54672033
[2-(4-chlorophenyl)-8-methylquinolin-4-yl]-pyridin-2-ylmethanol
CID 572832
pyridin-2-yl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 572603
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(2,3-dichlorophenyl)-pyridin-2-ylmethanol
CID 62791139
2-[amino(pyridin-2-yl)methyl]-4-chlorophenol
CID 22299694
10-chlorophenanthro[9,10-b]pyrazine
CID 121296750
1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995601
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
18-chloropentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 89117403

Frequently Asked Questions

What is the IUPAC name of (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol?
The IUPAC name of (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol (CID 146508713) is (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol.
What is the SMILES notation for (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol?
The canonical SMILES for (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol is OC(c1ccccn1)c1cc2ccccc2c2ccc(Cl)cc12.
What is the InChIKey of (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol?
The InChIKey is ICIQXYYZVPQCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO/c21-14-8-9-16-15-6-2-1-5-13(15)11-18(17(16)12-14)20(23)19-7-3-4-10-22-19/h1-12,20,23H.
What are the key properties of (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol?
(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol has a molecular weight of 319.79 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol is sourced from PubChem (CID 146508713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).