(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol

C16H18ClNO — CID 116543738

IUPAC(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2ccc(Cl)cn2)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)8-12-4-3-5-13(9-12)16(19)15-7-6-14(17)10-18-15/h3-7,9-11,16,19H,8H2,1-2H3
InChIKeyFBSPNEKLCWRQDI-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.02
Rot. Bonds4

About (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol

(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 116543738) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID116543738
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2ccc(Cl)cn2)c1
InChIInChI=1S/C16H18ClNO/c1-11(2)8-12-4-3-5-13(9-12)16(19)15-7-6-14(17)10-18-15/h3-7,9-11,16,19H,8H2,1-2H3
InChIKeyFBSPNEKLCWRQDI-UHFFFAOYSA-N
XLogP4.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105251622
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838226
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544792
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
CID 116542846
(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131164
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
CID 116542777
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol
CID 116543760

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol (CID 116543738) is (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol is CC(C)Cc1cccc(C(O)c2ccc(Cl)cn2)c1.
What is the InChIKey of (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is FBSPNEKLCWRQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(2)8-12-4-3-5-13(9-12)16(19)15-7-6-14(17)10-18-15/h3-7,9-11,16,19H,8H2,1-2H3.
What are the key properties of (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 275.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 116543738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).