(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol

C13H13ClN2O2 — CID 65026706

IUPAC(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cnccc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-18-12-3-2-8(6-10(12)14)13(17)9-7-16-5-4-11(9)15/h2-7,13,17H,1H3,(H2,15,16)
InChIKeyZERNREBDQBRFHS-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.41
Rot. Bonds3

About (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol

(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol (PubChem CID 65026706) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
PubChem CID65026706
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cnccc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-18-12-3-2-8(6-10(12)14)13(17)9-7-16-5-4-11(9)15/h2-7,13,17H,1H3,(H2,15,16)
InChIKeyZERNREBDQBRFHS-UHFFFAOYSA-N
XLogP2.41
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
CID 65026646
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
CID 83167143
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(4-amino-3-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105379142
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol?
The IUPAC name of (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol (CID 65026706) is (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cnccc2N)cc1Cl.
What is the InChIKey of (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol?
The InChIKey is ZERNREBDQBRFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-18-12-3-2-8(6-10(12)14)13(17)9-7-16-5-4-11(9)15/h2-7,13,17H,1H3,(H2,15,16).
What are the key properties of (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol?
(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol has a molecular weight of 264.71 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 65026706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).